6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide

C19H17ClN4O — CID 109357289

IUPAC6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C19H17ClN4O/c1-2-13-6-3-4-9-16(13)24-19(25)17-11-18(22-12-21-17)23-15-8-5-7-14(20)10-15/h3-12H,2H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyYSZLUMWHYSEORY-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.69
Rot. Bonds5

About 6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide

6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109357289) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
PubChem CID109357289
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C19H17ClN4O/c1-2-13-6-3-4-9-16(13)24-19(25)17-11-18(22-12-21-17)23-15-8-5-7-14(20)10-15/h3-12H,2H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyYSZLUMWHYSEORY-UHFFFAOYSA-N
XLogP4.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3-chloroanilino)-N-(2-ethylphenyl)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-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109357311
N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109357249
6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109358177
N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109358189
N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355812
N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109357298
3-N-(3-chlorophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108469
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341488
6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109358400
N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347562
N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109359869

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide (CID 109357289) is 6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1cc(Nc2cccc(Cl)c2)ncn1.
What is the InChIKey of 6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is YSZLUMWHYSEORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-2-13-6-3-4-9-16(13)24-19(25)17-11-18(22-12-21-17)23-15-8-5-7-14(20)10-15/h3-12H,2H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).