2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide

C24H27ClN4O — CID 59421235

IUPAC2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2C(=O)N(C)CC(C)C)c1
InChIInChI=1S/C24H27ClN4O/c1-16(2)15-29(4)23(30)21-14-27-24(26-13-18-8-6-10-20(25)12-18)28-22(21)19-9-5-7-17(3)11-19/h5-12,14,16H,13,15H2,1-4H3,(H,26,27,28)
InChIKeyOZBISSDDDDZFMN-UHFFFAOYSA-N
MW422.96 g/mol
LogP5.45
Rot. Bonds7

About 2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide

2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide (PubChem CID 59421235) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide
PubChem CID59421235
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2C(=O)N(C)CC(C)C)c1
InChIInChI=1S/C24H27ClN4O/c1-16(2)15-29(4)23(30)21-14-27-24(26-13-18-8-6-10-20(25)12-18)28-22(21)19-9-5-7-17(3)11-19/h5-12,14,16H,13,15H2,1-4H3,(H,26,27,28)
InChIKeyOZBISSDDDDZFMN-UHFFFAOYSA-N
XLogP5.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen
CID 161470985
disodium;2-[(3-chlorophenyl)methylamino]-4-oxidopyrimidine-5-carboxylate
CID 140677685
1-(3-chlorophenyl)-N,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 134059030
2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
CID 80980455
4-[2-[(3-chlorophenyl)methylamino]-5-(3,5-dimethylpiperidine-1-carbonyl)pyrimidin-4-yl]benzonitrile
CID 59421135
N-[(3-chlorophenyl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81239957
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299
4-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylic acid
CID 91915956
4-N-[2-(3-chlorophenyl)ethyl]-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890184
2-[(4-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304314
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256254

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide (CID 59421235) is 2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide is Cc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2C(=O)N(C)CC(C)C)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The InChIKey is OZBISSDDDDZFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-16(2)15-29(4)23(30)21-14-27-24(26-13-18-8-6-10-20(25)12-18)28-22(21)19-9-5-7-17(3)11-19/h5-12,14,16H,13,15H2,1-4H3,(H,26,27,28).
What are the key properties of 2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide?
2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide has a molecular weight of 422.96 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 59421235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).