N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide

C19H16Cl2N4O — CID 109315169

IUPACN-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2nccc(C(=O)Nc3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C19H16Cl2N4O/c1-11-8-12(2)10-13(9-11)23-19-22-7-6-16(25-19)18(26)24-15-5-3-4-14(20)17(15)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyIZBNWQQJAKRHOP-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.40
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide

N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109315169) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109315169
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC NameN-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2nccc(C(=O)Nc3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C19H16Cl2N4O/c1-11-8-12(2)10-13(9-11)23-19-22-7-6-16(25-19)18(26)24-15-5-3-4-14(20)17(15)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyIZBNWQQJAKRHOP-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-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313884
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577
2-(3-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316816
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095
2-(2,4-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315234
2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315235
N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109315229
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316704
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109316799
N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313868
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide (CID 109315169) is N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide is Cc1cc(C)cc(Nc2nccc(C(=O)Nc3cccc(Cl)c3Cl)n2)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is IZBNWQQJAKRHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-11-8-12(2)10-13(9-11)23-19-22-7-6-16(25-19)18(26)24-15-5-3-4-14(20)17(15)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide?
N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)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 N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).