2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide

C20H19ClN4O — CID 109305976

IUPAC2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3ccc(Cl)cc3)n2)c(C)c1
InChIInChI=1S/C20H19ClN4O/c1-13-3-8-17(14(2)11-13)24-19(26)18-9-10-22-20(25-18)23-12-15-4-6-16(21)7-5-15/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyDQKUFKDEWVSFFH-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.61
Rot. Bonds5

About 2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide

2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109305976) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109305976
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3ccc(Cl)cc3)n2)c(C)c1
InChIInChI=1S/C20H19ClN4O/c1-13-3-8-17(14(2)11-13)24-19(26)18-9-10-22-20(25-18)23-12-15-4-6-16(21)7-5-15/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyDQKUFKDEWVSFFH-UHFFFAOYSA-N
XLogP4.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-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

N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307504
N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303959
2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109296399
N-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299687
N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311752
2-[(4-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304314
2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide
CID 109303716
N-(2,4-dimethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310960
N-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109311111
N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305603
N-(2-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307498
4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211894

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide (CID 109305976) is 2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(NCc3ccc(Cl)cc3)n2)c(C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is DQKUFKDEWVSFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-3-8-17(14(2)11-13)24-19(26)18-9-10-22-20(25-18)23-12-15-4-6-16(21)7-5-15/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide?
2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109305976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).