Basic information
- Standard SMILES
COc1cc(OC)cc(-c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)n2)c1- InChIKey
RCJFINNFYUNFGH-UHFFFAOYSA-N- Molecular formula
- C19H18Cl2N4O2
- Average molar mass
- 405.3 g/mol
- Monoisotopic mass
- 404.0806812
Names & identifiers
- Preferred name
- 5-(Aminomethyl)-6-(2,4-Dichlorophenyl)-2-(3,5-Dimethoxyphenyl)Pyrimidin-4-Amine
- IUPAC
- 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine
Names & synonyms
5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-4-AMINERefChem:1017411rwqAminomethylpyrimidine 1e5APCHEMBL34062SCHEMBL1835830SCHEMBL30583441BDBM11593RCJFINNFYUNFGH-UHFFFAOYSA-NDB02004PD008229
Show more names
NS00069296Q270930945-Aminomethyl-6-(2,4-dichloro-phenyl)-2-(3,5-dimethoxy-phenyl)-pyrimidin-4-ylamine
Database identifiers
- PubChem CID
- 448436
- ChEMBL
CHEMBL34062
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 463
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
2 records
Compound notes
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