2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide

C19H16Cl2N4O — CID 109315373

IUPAC2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccnc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C19H16Cl2N4O/c1-11-4-3-5-12(2)17(11)25-18(26)16-6-7-22-19(24-16)23-15-9-13(20)8-14(21)10-15/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyZLOKCXHKNORQOC-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.40
Rot. Bonds4

About 2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide

2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109315373) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109315373
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccnc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C19H16Cl2N4O/c1-11-4-3-5-12(2)17(11)25-18(26)16-6-7-22-19(24-16)23-15-9-13(20)8-14(21)10-15/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyZLOKCXHKNORQOC-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-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315353
2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315331
2-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315347
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315385
2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987
2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874
2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313921
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109315975
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109316241
2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315052
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937
2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109316217

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide (CID 109315373) is 2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide is Cc1cccc(C)c1NC(=O)c1ccnc(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is ZLOKCXHKNORQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-11-4-3-5-12(2)17(11)25-18(26)16-6-7-22-19(24-16)23-15-9-13(20)8-14(21)10-15/h3-10H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
2-(3,5-dichloroanilino)-N-(2,6-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-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).