Basic information
- CAS
174654-93-4- Standard SMILES
COc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1OC- InChIKey
XQDLKIMOHMTKTI-UHFFFAOYSA-N- Molecular formula
- C17H19N5O2S
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.12594604
Names & identifiers
- Preferred name
- 2,4-Diamino-5-methylpyrido(2,3-d)pyrimidine, 6-((3,4-dimethoxyphenylthio)methyl), 0.9 hydrate
- IUPAC
- 6-[(3,4-dimethoxyphenyl)sulfanylmethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Names & synonyms
SRI 8455174654-93-4CHEMBL232442,4-Diamino-5-methylpyrido(2,3-d)pyrimidine, 6-((3,4-dimethoxyphenylthio)methyl), 0.9 hydrate2,4-Diamino-5-methylpyrido[2,3-d]pyrimidine, 6-[(3,4-dimethoxyphenylthio)methyl], 0.9 hydrateDTXSID30169871BDBM500504256-(3,4-Dimethoxy-phenylsulfanylmethyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine6-[(3,4-dimethoxyphenyl)sulfanylmethyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine6-{[(3,4-Dimethoxyphenyl)sulfanyl]methyl}-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Database identifiers
- CAS
174654-93-4- PubChem CID
- 464033
- DTXSID
DTXSID30169871- ChEMBL
CHEMBL23244
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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