N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide

C21H19N5O — CID 112849269

IUPACN-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(C)c2C)cc(C(=O)Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C21H19N5O/c1-13-5-4-6-18(14(13)2)26-20-11-19(23-15(3)24-20)21(27)25-17-9-7-16(12-22)8-10-17/h4-11H,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyXEZFHNFVBQGWKD-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.27
Rot. Bonds4

About N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide

N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849269) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112849269
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(C)c2C)cc(C(=O)Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C21H19N5O/c1-13-5-4-6-18(14(13)2)26-20-11-19(23-15(3)24-20)21(27)25-17-9-7-16(12-22)8-10-17/h4-11H,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyXEZFHNFVBQGWKD-UHFFFAOYSA-N
XLogP4.27
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850016
N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849254
6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850278
N-(3-cyanophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848112
N-(4-cyanophenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112850706
N-(4-cyanophenyl)-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109220123
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
6-(2-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848467
N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850845
6-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850950
N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112851206
6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848468

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide (CID 112849269) is N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2cccc(C)c2C)cc(C(=O)Nc2ccc(C#N)cc2)n1.
What is the InChIKey of N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is XEZFHNFVBQGWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-13-5-4-6-18(14(13)2)26-20-11-19(23-15(3)24-20)21(27)25-17-9-7-16(12-22)8-10-17/h4-11H,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).