2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide

C20H19ClN4O — CID 109315331

IUPAC2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(Cl)ccc1Nc1nccc(C(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C20H19ClN4O/c1-12-5-4-6-13(2)18(12)25-19(26)17-9-10-22-20(24-17)23-16-8-7-15(21)11-14(16)3/h4-11H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyKFRHOXOGXIMPSA-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.05
Rot. Bonds4

About 2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide

2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109315331) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109315331
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(Cl)ccc1Nc1nccc(C(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C20H19ClN4O/c1-12-5-4-6-13(2)18(12)25-19(26)17-9-10-22-20(24-17)23-16-8-7-15(21)11-14(16)3/h4-11H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyKFRHOXOGXIMPSA-UHFFFAOYSA-N
XLogP5.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-methylanilino)-N-(2,6-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

2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315373
2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295042
N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315533
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315353
2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318714
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315385
2-(4-chloro-2-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312123
N-(3,4-difluorophenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315452
2-(2,4-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315234
2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313507
2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313013
N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314895

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide (CID 109315331) is 2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide is Cc1cc(Cl)ccc1Nc1nccc(C(=O)Nc2c(C)cccc2C)n1.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is KFRHOXOGXIMPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-12-5-4-6-13(2)18(12)25-19(26)17-9-10-22-20(24-17)23-16-8-7-15(21)11-14(16)3/h4-11H,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of 2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).