| CAS Number | 1065075-68-4 |
| Catalog Number | AG00HATS |
| Chemical Name | 4-(Cyclopentylamino)-2-(methylthio)pyrimidine-5-carboxylic acid |
| IUPAC Name | 4-(cyclopentylamino)-2-methylsulfanylpyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C11H15N3O2S/c1-17-11-12-6-8(10(15)16)9(14-11)13-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,15,16)(H,12,13,14) |
| InChI Key | GZXJDOFLCMEPGA-UHFFFAOYSA-N |
| MDL Number | MFCD11100923 |
| Molecular Formula | C11H15N3O2S |
| Molecular Weight | 253.3207 |
| SMILES | CSC1=NC(NC2CCCC2)=C(C=N1)C(O)=O |
| Synonyms | 1065075-68-4,
4-(CYCLOPENTYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID,
4-(Cyclopentylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylic acid,
SCHEMBL1226594,
CTK7B5435,
DTXSID90624890,
GZXJDOFLCMEPGA-UHFFFAOYSA-N,
AR3320,
MFCD11100923,
ZINC20385503,
AKOS015948212,
MCULE-3361055925,
AS-45580,
4-cyclopentylamino-2-methylsulfanyl-pyrimidine-5-carboxylic acid,
4-(cyclopentylamino)-2-methylsulfanylpyrimidine-5-carboxylic acid,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.32g/mol |
| Monoisotopic Mass | 253.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number