2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide

C19H16Cl2N4O — CID 109267339

IUPAC2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(Nc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C19H16Cl2N4O/c1-2-12-5-3-4-6-16(12)24-18(26)13-10-22-19(23-11-13)25-17-8-7-14(20)9-15(17)21/h3-11H,2H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyMWLSLWSZALXATG-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.34
Rot. Bonds5

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

2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109267339) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
PubChem CID109267339
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(Nc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C19H16Cl2N4O/c1-2-12-5-3-4-6-16(12)24-18(26)13-10-22-19(23-11-13)25-17-8-7-14(20)9-15(17)21/h3-11H,2H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyMWLSLWSZALXATG-UHFFFAOYSA-N
XLogP5.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267415
N-(3-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267368
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267314
2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268911
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255747
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109267292
N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109270543
2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267626

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide (CID 109267339) is 2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide is CCc1ccccc1NC(=O)c1cnc(Nc2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of 2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is MWLSLWSZALXATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-2-12-5-3-4-6-16(12)24-18(26)13-10-22-19(23-11-13)25-17-8-7-14(20)9-15(17)21/h3-11H,2H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).