2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide

C20H19ClN4O — CID 109335319

IUPAC2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2ccccc2)nc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C20H19ClN4O/c1-13-11-15(21)9-10-17(13)23-20-22-14(2)12-18(24-20)19(26)25(3)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,22,23,24)
InChIKeyASTMSFYCZOGHFP-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.77
Rot. Bonds4

About 2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide

2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109335319) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109335319
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2ccccc2)nc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C20H19ClN4O/c1-13-11-15(21)9-10-17(13)23-20-22-14(2)12-18(24-20)19(26)25(3)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,22,23,24)
InChIKeyASTMSFYCZOGHFP-UHFFFAOYSA-N
XLogP4.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-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-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109335301
N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334890
[2-(4-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321835
N-butyl-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109320721
6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848578
2-(4-chloro-2-methylanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337276
N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109330141
N-(3-acetylphenyl)-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109337269
2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109334233
N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109327605
N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333730
[2-(4-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334053

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide (CID 109335319) is 2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)c2ccccc2)nc(Nc2ccc(Cl)cc2C)n1.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is ASTMSFYCZOGHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-11-15(21)9-10-17(13)23-20-22-14(2)12-18(24-20)19(26)25(3)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,22,23,24).
What are the key properties of 2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109335319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).