| CAS Number | 211245-63-5 |
| Catalog Number | AG002L8Z(AGN-PC-0N9YZ9) |
| Chemical Name | 5-Pyrimidinemethanol, 4-(cyclopentylamino)-2-(methylthio)- |
| IUPAC Name | [4-(cyclopentylamino)-2-methylsulfanylpyrimidin-5-yl]methanol |
| InChI | InChI=1S/C11H17N3OS/c1-16-11-12-6-8(7-15)10(14-11)13-9-4-2-3-5-9/h6,9,15H,2-5,7H2,1H3,(H,12,13,14) |
| InChI Key | HKGVZNNJDXEJQC-UHFFFAOYSA-N |
| MDL Number | MFCD09833995 |
| Molecular Formula | C11H17N3OS |
| Molecular Weight | 239.3372 |
| SMILES | OCC1=CN=C(SC)N=C1NC2CCCC2 |
| Synonyms | 211245-63-5,
(4-(cyclopentylamino)-2-(methylthio)pyrimidin-5-yl)methanol,
4-(cyclopentylamino)-2-(methylthio)-5-Pyrimidinemethanol,
(4-Cyclopentylamino-2-methylsulfanyl-pyrimidin-5-yl)-methanol,
SCHEMBL2622288,
HKGVZNNJDXEJQC-UHFFFAOYSA-N,
MFCD09833995,
ZINC20384551,
AKOS016386923,
MCULE-8785998917,
ACM211245635,
DB-066433,
CS-0037464,
FT-0741162,
5-Pyrimidinemethanol, 4-(cyclopentylamino)-2-(methylthio)-,
(4-(Cyclopentylamino)-2- (methylthio)pyrimidin-5-yl)methanol,
[4-(cyclopentylamino)-2-methylsulfanylpyrimidin-5-yl]methanol,
CID10752510,
[4-(cyclopentylamino)-2-methylsulfanyl-pyrimidin-5-yl]methanol,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.337g/mol |
| Monoisotopic Mass | 239.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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