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

C19H16Cl2N4O — CID 109267194

IUPAC2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3cc(Cl)ccc3Cl)nc2)c1C
InChIInChI=1S/C19H16Cl2N4O/c1-11-4-3-5-16(12(11)2)24-18(26)13-9-22-19(23-10-13)25-17-8-14(20)6-7-15(17)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyCJKMLFIFJZYJMG-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.40
Rot. Bonds4

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

2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109267194) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109267194
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3cc(Cl)ccc3Cl)nc2)c1C
InChIInChI=1S/C19H16Cl2N4O/c1-11-4-3-5-16(12(11)2)24-18(26)13-9-22-19(23-10-13)25-17-8-14(20)6-7-15(17)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyCJKMLFIFJZYJMG-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

N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109267225
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109267230
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
2-(3,5-dimethylanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266911
methyl 4-chloro-3-[[5-[(2-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109265338
2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 57380288
N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109267159
2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268708
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265360

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide (CID 109267194) is 2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cnc(Nc3cc(Cl)ccc3Cl)nc2)c1C.
What is the InChIKey of 2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is CJKMLFIFJZYJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-11-4-3-5-16(12(11)2)24-18(26)13-9-22-19(23-10-13)25-17-8-14(20)6-7-15(17)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide?
2-(2,5-dichloroanilino)-N-(2,3-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-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).