2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide

C18H14Cl2N4O — CID 109265360

IUPAC2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C18H14Cl2N4O/c1-11-4-2-3-5-16(11)24-17(25)12-9-21-18(22-10-12)23-13-6-7-14(19)15(20)8-13/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyMJXXUSKVCBOYPH-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.09
Rot. Bonds4

About 2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide

2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265360) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265360
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C18H14Cl2N4O/c1-11-4-2-3-5-16(11)24-17(25)12-9-21-18(22-10-12)23-13-6-7-14(19)15(20)8-13/h2-10H,1H3,(H,24,25)(H,21,22,23)
InChIKeyMJXXUSKVCBOYPH-UHFFFAOYSA-N
XLogP5.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dichloroanilino)-N-(2-methylphenyl)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-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265311
2-(3,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266432
2-(3-chloro-4-methylanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268328
2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265301
N-(3-chloro-4-fluorophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265409
methyl 4-chloro-3-[[5-[(2-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109265338
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292
2-(3-chloro-4-fluoroanilino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109269075
N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265432
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265367
N-(3-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109268746

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide (CID 109265360) is 2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide is Cc1ccccc1NC(=O)c1cnc(Nc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is MJXXUSKVCBOYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-11-4-2-3-5-16(11)24-17(25)12-9-21-18(22-10-12)23-13-6-7-14(19)15(20)8-13/h2-10H,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).