Basic information
- CAS
477873-09-9- Standard SMILES
COc1ccc(-c2nc(-c3cccc(Cl)c3)nc(N3CCN(C)CC3)c2C#N)cc1- InChIKey
XVWOCZWZKFITPZ-UHFFFAOYSA-N- Molecular formula
- C23H22ClN5O
- Average molar mass
- 419.9 g/mol
Names & identifiers
- Preferred name
- 2-(3-Chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile
- IUPAC
- 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile
- English name
- 2-(3-Chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazino)-5-pyrimidinecarbonitrile
- Molecular formula
- C23H22ClN5O
- Molecular weight
- 419.91
Names & synonyms
2-(3-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile477873-09-92-(3-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazino)-5-pyrimidinecarbonitrileMLS000326142Oprea1_660162AKOS005085111SMR0001702322J-0375-Pyrimidinecarbonitrile, 2-(3-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methyl-1-piperazinyl)-
Database identifiers
- CAS
477873-09-9
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 596
Physicochemical properties
- Boiling point
- 549.9 · 549.9±50.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 6.37 · 6.37±0.42(Predicted)
Chemistry & industry
Suppliers5 total
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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