Basic information
- CAS
174654-96-7- Standard SMILES
Cc1c(CNc2ccc(Cl)cc2)cnc2nc(N)nc(N)c12- InChIKey
SOEDHSVWTZWFIM-UHFFFAOYSA-N- Molecular formula
- C15H15ClN6
- Average molar mass
- 314.77 g/mol
- Monoisotopic mass
- 314.1046722
Names & identifiers
- Preferred name
- 6-[(4-Chloro-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
- IUPAC
- 6-[(4-chloroanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Names & synonyms
CHEMBL234166-[(4-Chloro-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamineDTXSID60877750BDBM50050420174654-96-724DiAm5Me6(4CL-PhAm)Mepyrid[23d]pyrimidine6-[(4-chloroanilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine4-Chloro-N-[(2,4-diimino-5-methyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-6-yl)methyl]aniline
Database identifiers
- CAS
174654-96-7- PubChem CID
- 464992
- DTXSID
DTXSID60877750- ChEMBL
CHEMBL23416- Nikkaji
- J739.780A
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
- 362
Experimental & physicochemical properties
LogP2.03
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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