N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide

C20H19ClN4O — CID 112848919

IUPACN-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1ccc(C)c(Nc2cc(C(=O)Nc3ccc(Cl)cc3)nc(C)n2)c1
InChIInChI=1S/C20H19ClN4O/c1-12-4-5-13(2)17(10-12)25-19-11-18(22-14(3)23-19)20(26)24-16-8-6-15(21)7-9-16/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyIYLWATUGQIRNED-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.05
Rot. Bonds4

About N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide

N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112848919) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112848919
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1ccc(C)c(Nc2cc(C(=O)Nc3ccc(Cl)cc3)nc(C)n2)c1
InChIInChI=1S/C20H19ClN4O/c1-12-4-5-13(2)17(10-12)25-19-11-18(22-14(3)23-19)20(26)24-16-8-6-15(21)7-9-16/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyIYLWATUGQIRNED-UHFFFAOYSA-N
XLogP5.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848839
N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848932
N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848921
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
6-(2-fluoroanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848419
6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848989
6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850129
N-(4-chlorophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850162
N-(2,5-dimethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112848969
6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850278
N-(2-cyanophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848947
6-(4-chloroanilino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850131

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide (CID 112848919) is N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide is Cc1ccc(C)c(Nc2cc(C(=O)Nc3ccc(Cl)cc3)nc(C)n2)c1.
What is the InChIKey of N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is IYLWATUGQIRNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-12-4-5-13(2)17(10-12)25-19-11-18(22-14(3)23-19)20(26)24-16-8-6-15(21)7-9-16/h4-11H,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).