4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
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Basic information
- Standard SMILES
COc1ccc(CNc2cc3c(Nc4cccc(Br)c4)ncnc3cn2)cc1- InChIKey
CXLKPXBPOPTFNY-UHFFFAOYSA-N- Molecular formula
- C21H18BrN5O
- Average molar mass
- 436.3 g/mol
- Monoisotopic mass
- 435.06947
Names & identifiers
- Preferred name
- 4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
- IUPAC
- 4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
Names & synonyms
CHEMBL53299Pyrido[3,4-d]pyrimidine 7iBDBM3606SCHEMBL2994863CXLKPXBPOPTFNY-UHFFFAOYSA-CXLKPXBPOPTFNY-UHFFFAOYSA-N4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine4-[(3-bromophenyl)amino]-6-[(4-methoxyphenyl)-methylamino]pyrido[3,4-d]pyrimidine4-[(3-bromophenyl)amino]-6-[(4-methoxyphenyl)methyl- amino]pyrido[3,4-d]pyrimidine4-[(3-bromophenyl)amino]-6-[(4-methoxyphenyl)methyl-amino]pyrido[3,4-d]pyrimidine4-[(3-bromophenyl)amino]-6-[(4-methoxyphenyl)methylamino]pyrido[3,4-d]pyrimidineInChI=1/C21H18BrN5O/c1-28-17-7-5-14(6-8-17)11-23-20-10-18-19(12-24-20)25-13-26-21(18)27-16-4-2-3-15(22)9-16/h2-10,12-13H,11H2,1H3,(H,23,24)(H,25,26,27)
Database identifiers
- PubChem CID
- 5328263
- ChEMBL
CHEMBL53299- Nikkaji
- J746.182H
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 476
Related reactions
4 records
Compound notes
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