Pyrido(2,3-d)pyrimidine-2,4-diamine, 6-(((4-methoxyphenyl)thio)methyl)-5-methyl-
Basic information
- CAS
159210-74-9- Standard SMILES
COc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1- InChIKey
YYBYCBOPPNOBID-UHFFFAOYSA-N- Molecular formula
- C16H17N5OS
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.11538136
Names & identifiers
- Preferred name
- Pyrido(2,3-d)pyrimidine-2,4-diamine, 6-(((4-methoxyphenyl)thio)methyl)-5-methyl-
- IUPAC
- 6-[(4-methoxyphenyl)sulfanylmethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Names & synonyms
159210-74-9CHEMBL23911Pyrido(2,3-d)pyrimidine-2,4-diamine, 6-(((4-methoxyphenyl)thio)methyl)-5-methyl-Pyrido[2,3-d]pyrimidine-2,4-diamine, 6-[[(4-methoxyphenyl)thio]methyl]-5-methyl-DTXSID20166612BDBM500495966-{[(4-METHOXYPHENYL)SULFANYL]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE6-(4-Methoxy-phenylsulfanylmethyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine6-[(4-methoxyphenyl)sulfanylmethyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
Database identifiers
- CAS
159210-74-9- PubChem CID
- 464984
- DTXSID
DTXSID20166612- ChEMBL
CHEMBL23911- Nikkaji
- J747.218H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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