Pyrido(3,2-d)pyrimidine-2,4-diamine, 6-(((3,4-dichlorophenyl)amino)methyl)-
Basic information
- CAS
175411-14-0- Standard SMILES
Nc1nc(N)c2nc(CNc3ccc(Cl)c(Cl)c3)ccc2n1- InChIKey
YAMIFIPZNRDIHD-UHFFFAOYSA-N- Molecular formula
- C14H12Cl2N6
- Average molar mass
- 335.2 g/mol
- Monoisotopic mass
- 334.0500498
Names & identifiers
- Preferred name
- Pyrido(3,2-d)pyrimidine-2,4-diamine, 6-(((3,4-dichlorophenyl)amino)methyl)-
- IUPAC
- 6-[(3,4-dichloroanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
Names & synonyms
175411-14-0Pyrido(3,2-d)pyrimidine-2,4-diamine, 6-(((3,4-dichlorophenyl)amino)methyl)-CHEMBL2924276-[(3,4-dichloroanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diaminePyrido[3,2-d]pyrimidine-2,4-diamine, 6-[[(3,4-dichlorophenyl)amino]methyl]-DTXSID40169983BDBM500496006-[(3,4-Dichloro-phenylamino)-methyl]-pyrido[3,2-d]pyrimidine-2,4-diamine
Database identifiers
- CAS
175411-14-0- PubChem CID
- 457744
- DTXSID
DTXSID40169983- ChEMBL
CHEMBL292427
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
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Compound notes
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