2,4-Diamino-5-methylpyrido(2,3-d)pyrimidine, 6-((3-chlorophenylthio)methyl), 0.9 hydrate
Basic information
- CAS
174654-94-5- Standard SMILES
Cc1c(CSc2cccc(Cl)c2)cnc2nc(N)nc(N)c12- InChIKey
JULCQUSZPHPRJL-UHFFFAOYSA-N- Molecular formula
- C15H14ClN5S
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.0658443
Names & identifiers
- Preferred name
- 2,4-Diamino-5-methylpyrido(2,3-d)pyrimidine, 6-((3-chlorophenylthio)methyl), 0.9 hydrate
- IUPAC
- 6-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Names & synonyms
SRI 8573174654-94-5CHEMBL240072,4-Diamino-5-methylpyrido(2,3-d)pyrimidine, 6-((3-chlorophenylthio)methyl), 0.9 hydrate2,4-Diamino-5-methylpyrido[2,3-d]pyrimidine, 6-[(3-chlorophenylthio)methyl], 0.9 hydrateDTXSID90169872BDBM500503936-(3-Chloro-phenylsulfanylmethyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine6-[(3-chlorophenyl)sulfanylmethyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine6-{[(3-CHLOROPHENYL)SULFANYL]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE
Database identifiers
- CAS
174654-94-5- PubChem CID
- 464034
- DTXSID
DTXSID90169872- ChEMBL
CHEMBL24007
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 374
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Compound notes
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