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

C19H16Cl2N4O — CID 109266433

IUPAC2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccc(Cl)cc3Cl)nc2)c(C)c1
InChIInChI=1S/C19H16Cl2N4O/c1-11-3-5-16(12(2)7-11)24-18(26)13-9-22-19(23-10-13)25-17-6-4-14(20)8-15(17)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyACHFCDUWTGSEOU-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.40
Rot. Bonds4

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

2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109266433) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109266433
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccc(Cl)cc3Cl)nc2)c(C)c1
InChIInChI=1S/C19H16Cl2N4O/c1-11-3-5-16(12(2)7-11)24-18(26)13-9-22-19(23-10-13)25-17-6-4-14(20)8-15(17)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyACHFCDUWTGSEOU-UHFFFAOYSA-N
XLogP5.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266432
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266466
N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109266385
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109267225
2-(2,6-dimethylanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266373
2-(3-chloro-4-fluoroanilino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109269075
2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267339
2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268911
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652
2-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266445

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide (CID 109266433) is 2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(Nc3ccc(Cl)cc3Cl)nc2)c(C)c1.
What is the InChIKey of 2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is ACHFCDUWTGSEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-11-3-5-16(12(2)7-11)24-18(26)13-9-22-19(23-10-13)25-17-6-4-14(20)8-15(17)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide?
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 5.40, 4 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-(2,4-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).