Basic information
- CAS
651359-44-3- Standard SMILES
Nc1ncc(CNc2ccccc2)c(N)n1- InChIKey
CCQQSWGQEBMHHL-UHFFFAOYSA-N- Molecular formula
- C11H13N5
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.11709544
Names & identifiers
- Preferred name
- 5-(Anilinomethyl)pyrimidine-2,4-diamine
- IUPAC
- 5-(anilinomethyl)pyrimidine-2,4-diamine
Names & synonyms
5-(anilinomethyl)pyrimidine-2,4-diamine651359-44-35-Phenylaminomethyl-pyrimidine-2,4-diamineCHEMBL177230DTXSID30333671
Database identifiers
- CAS
651359-44-3- PubChem CID
- 516692
- DTXSID
DTXSID30333671- ChEMBL
CHEMBL177230
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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