Basic information
- CAS
42388-74-9- Standard SMILES
CCCCN(C)CCNc1cc(C)nc(Nc2nc3ccc(Cl)cc3[nH]2)n1- InChIKey
ZCZUTODAQODHEZ-UHFFFAOYSA-N- Molecular formula
- C19H26ClN7
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1938216
Names & identifiers
- Preferred name
- N-4-(2-(Butyl-methyl-amino)-ethyl)-N-2-(6-chloro-1H-benzoimidazol-2-yl)-6-methyl-pyrimidine-2,4-diamine
- IUPAC
- 4-N-[2-[butyl(methyl)amino]ethyl]-2-N-(6-chloro-1H-benzimidazol-2-yl)-6-methylpyrimidine-2,4-diamine
Names & synonyms
42388-74-9NSC174235N-4-(2-(Butyl-methyl-amino)-ethyl)-N-2-(6-chloro-1H-benzoimidazol-2-yl)-6-methyl-pyrimidine-2,4-diamineNSC 174235NSC-174235N-4-[2-(Butyl-methyl-amino)-ethyl]-N-2-(6-chloro-1H-benzoimidazol-2-yl)-6-methyl-pyrimidine-2,4-diamineD3W97L6U8LCHEMBL1939348DTXSID90195191DS-0023712,4-Pyrimidinediamine, N4-[2-(butylmethylamino)ethyl]-N2-(5-chloro-1H-benzimidazol-2-yl)-6-methyl-2,4-Pyrimidinediamine, N4-[2-(butylmethylamino)ethyl]-N2-(6-chloro-1H-benzimidazol-2-yl)-6-methyl-
Show more names
N~4~-{2-[Butyl(methyl)amino]ethyl}-N~2~-(6-chloro-1H-1,3-benzimidazol-2-yl)-6-methylpyrimidine-2,4-diamineN4-[2-(Butylmethylamino)ethyl]-N2-(6-chloro-1H-benzimidazol-2-yl)-6-methyl-2,4-pyrimidinediamineN4-[2-[butyl(methyl)amino]ethyl]-N2-(6-chloro-1H-benzimidazol-2-yl)-6-methyl-pyrimidine-2,4-diamine
Database identifiers
- CAS
42388-74-9- PubChem CID
- 300124
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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