Basic information
- Standard SMILES
Nc1cccc(Nc2ncnc3cc(N)ncc23)c1- InChIKey
LLVSJVCHNFCBSQ-UHFFFAOYSA-N- Molecular formula
- C13H12N6
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.11234441
Names & identifiers
- Preferred name
- 4-N-(3-aminophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
- IUPAC
- 4-N-(3-aminophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
Names & synonyms
7-Aminopyrido[4,3-d]pyrimidine 7opyrido[4,3-d]pyrimidine-4,7-diamine,n4-(3-aminophenyl)-171178-67-9BDBM3318CHEMBL124617SCHEMBL68372584-N-(3-aminophenyl)pyrido[4,3-d]pyrimidine-4,7-diamineLLVSJVCHNFCBSQ-UHFFFAOYSA-N7-amino-4-(3-aminoanilino)pyrido[4,3-d]pyrimidine7-amino-4-[(3-aminophenyl)amino]pyrido[4,3-d]pyrimidine
Database identifiers
- PubChem CID
- 5328064
- ChEMBL
CHEMBL124617- Nikkaji
- J696.792B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Related reactions
7 records
Compound notes
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