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

C19H16Cl2N4O — CID 109314882

IUPACN-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(Nc2nccc(C(=O)Nc3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C19H16Cl2N4O/c1-11-3-4-12(2)17(9-11)25-19-22-8-7-16(24-19)18(26)23-13-5-6-14(20)15(21)10-13/h3-10H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyBCEYTUIWSJXYJV-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.40
Rot. Bonds4

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

N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109314882) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109314882
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC NameN-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(Nc2nccc(C(=O)Nc3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C19H16Cl2N4O/c1-11-3-4-12(2)17(9-11)25-19-22-8-7-16(24-19)18(26)23-13-5-6-14(20)15(21)10-13/h3-10H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyBCEYTUIWSJXYJV-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-bromophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314848
2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313508
2-(2,5-dichloroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314955
2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314853
N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314895
N-(2,4-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314880
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317289
2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315235
2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313507
methyl 2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317304

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide (CID 109314882) is N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide is Cc1ccc(C)c(Nc2nccc(C(=O)Nc3ccc(Cl)c(Cl)c3)n2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is BCEYTUIWSJXYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-11-3-4-12(2)17(9-11)25-19-22-8-7-16(24-19)18(26)23-13-5-6-14(20)15(21)10-13/h3-10H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide?
N-(3,4-dichlorophenyl)-2-(2,5-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-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).