(R)-4-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-(tetrahydrofuran-3-yl)-1H-pyrazol-5-amine
The title compound, C12H15N5OS, was obtained by reaction of 2-(2-(methylthio)pyrimidin-4-yl)-3-oxopropanenitrile with (tetrahydrofuran-3-yl)hydrazine dihydrochloride, and the racemic product was subsequently separated by chiral chromatography (first peak; [α]D20 = +51.3°)....
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2009-04-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053680900734X |
| _version_ | 1818894075406843904 |
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| author | Zhengyu Liu Kevin K.-C. Liu Jeff Elleraas Arnold L. Rheingold Antonio DiPasquale Alex Yanovsky |
| author_facet | Zhengyu Liu Kevin K.-C. Liu Jeff Elleraas Arnold L. Rheingold Antonio DiPasquale Alex Yanovsky |
| author_sort | Zhengyu Liu |
| collection | DOAJ |
| description | The title compound, C12H15N5OS, was obtained by reaction of 2-(2-(methylthio)pyrimidin-4-yl)-3-oxopropanenitrile with (tetrahydrofuran-3-yl)hydrazine dihydrochloride, and the racemic product was subsequently separated by chiral chromatography (first peak; [α]D20 = +51.3°). The chiral center at the substituted atom of the tetrahydrofuranyl group has an R-configuration. The pyrimidine and pyrazolyl rings are almost coplanar, their mean planes forming a dihedral angle of 6.4 (1)°. One of the H atoms of the amino group participates in an intramolecular hydrogen bond with the pyrimidine N atom in position 3. The second H atom is involved in an intermolecular hydrogen bond, which links the molecules into an infinite chain. |
| first_indexed | 2024-12-19T18:22:43Z |
| format | Article |
| id | doaj.art-107453a2bc404692bb6d04bc2ac2e6f1 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-19T18:22:43Z |
| publishDate | 2009-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-107453a2bc404692bb6d04bc2ac2e6f12022-12-21T20:10:56ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-04-01654o697o69710.1107/S160053680900734X(R)-4-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-(tetrahydrofuran-3-yl)-1H-pyrazol-5-amineZhengyu LiuKevin K.-C. LiuJeff ElleraasArnold L. RheingoldAntonio DiPasqualeAlex YanovskyThe title compound, C12H15N5OS, was obtained by reaction of 2-(2-(methylthio)pyrimidin-4-yl)-3-oxopropanenitrile with (tetrahydrofuran-3-yl)hydrazine dihydrochloride, and the racemic product was subsequently separated by chiral chromatography (first peak; [α]D20 = +51.3°). The chiral center at the substituted atom of the tetrahydrofuranyl group has an R-configuration. The pyrimidine and pyrazolyl rings are almost coplanar, their mean planes forming a dihedral angle of 6.4 (1)°. One of the H atoms of the amino group participates in an intramolecular hydrogen bond with the pyrimidine N atom in position 3. The second H atom is involved in an intermolecular hydrogen bond, which links the molecules into an infinite chain.http://scripts.iucr.org/cgi-bin/paper?S160053680900734X |
| spellingShingle | Zhengyu Liu Kevin K.-C. Liu Jeff Elleraas Arnold L. Rheingold Antonio DiPasquale Alex Yanovsky (R)-4-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-(tetrahydrofuran-3-yl)-1H-pyrazol-5-amine Acta Crystallographica Section E |
| title | (R)-4-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-(tetrahydrofuran-3-yl)-1H-pyrazol-5-amine |
| title_full | (R)-4-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-(tetrahydrofuran-3-yl)-1H-pyrazol-5-amine |
| title_fullStr | (R)-4-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-(tetrahydrofuran-3-yl)-1H-pyrazol-5-amine |
| title_full_unstemmed | (R)-4-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-(tetrahydrofuran-3-yl)-1H-pyrazol-5-amine |
| title_short | (R)-4-[2-(Methylsulfanyl)pyrimidin-4-yl]-1-(tetrahydrofuran-3-yl)-1H-pyrazol-5-amine |
| title_sort | r 4 2 methylsulfanyl pyrimidin 4 yl 1 tetrahydrofuran 3 yl 1h pyrazol 5 amine |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053680900734X |
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