N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide

C21H17N5O2 — CID 112850845

IUPACN-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Nc3ccc(C#N)cc3)nc(C)n2)cc1
InChIInChI=1S/C21H17N5O2/c1-13(27)16-5-9-18(10-6-16)26-21(28)19-11-20(24-14(2)23-19)25-17-7-3-15(12-22)4-8-17/h3-11H,1-2H3,(H,26,28)(H,23,24,25)
InChIKeyHTEYFLMBMZCQRU-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.86
Rot. Bonds5

About N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide

N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850845) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112850845
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Nc3ccc(C#N)cc3)nc(C)n2)cc1
InChIInChI=1S/C21H17N5O2/c1-13(27)16-5-9-18(10-6-16)26-21(28)19-11-20(24-14(2)23-19)25-17-7-3-15(12-22)4-8-17/h3-11H,1-2H3,(H,26,28)(H,23,24,25)
InChIKeyHTEYFLMBMZCQRU-UHFFFAOYSA-N
XLogP3.86
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
6-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850950
N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850552
N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112851206
N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294086
6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850016
6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848989
6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850278
N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849269
6-(4-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850834
6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848468
4-[[6-(4-cyanoanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193354

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide (CID 112850845) is N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(Nc3ccc(C#N)cc3)nc(C)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is HTEYFLMBMZCQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-13(27)16-5-9-18(10-6-16)26-21(28)19-11-20(24-14(2)23-19)25-17-7-3-15(12-22)4-8-17/h3-11H,1-2H3,(H,26,28)(H,23,24,25).
What are the key properties of N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide?
N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).