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

C19H16Cl2N4O — CID 109315235

IUPAC2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(Nc3cc(Cl)ccc3Cl)n2)c1
InChIInChI=1S/C19H16Cl2N4O/c1-11-7-12(2)9-14(8-11)23-18(26)16-5-6-22-19(24-16)25-17-10-13(20)3-4-15(17)21/h3-10H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyISCAEHFFZXBUHS-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.40
Rot. Bonds4

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

2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109315235) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109315235
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(Nc3cc(Cl)ccc3Cl)n2)c1
InChIInChI=1S/C19H16Cl2N4O/c1-11-7-12(2)9-14(8-11)23-18(26)16-5-6-22-19(24-16)25-17-10-13(20)3-4-15(17)21/h3-10H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyISCAEHFFZXBUHS-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-(2,4-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315234
2-(2,5-dichloroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314955
N-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109317020
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095
N-(3,4-difluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315178
N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109315229
N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109315206
N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315169
N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314882
2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313921
2-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317120
2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109316980

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide (CID 109315235) is 2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide is Cc1cc(C)cc(NC(=O)c2ccnc(Nc3cc(Cl)ccc3Cl)n2)c1.
What is the InChIKey of 2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is ISCAEHFFZXBUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-11-7-12(2)9-14(8-11)23-18(26)16-5-6-22-19(24-16)25-17-10-13(20)3-4-15(17)21/h3-10H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide?
2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-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-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).