6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

C21H19N5O — CID 112848989

IUPAC6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(Nc3ccc(C#N)cc3)nc(C)n2)c1
InChIInChI=1S/C21H19N5O/c1-13-4-5-14(2)18(10-13)26-21(27)19-11-20(24-15(3)23-19)25-17-8-6-16(12-22)7-9-17/h4-11H,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyAYWNBPSASAYLHD-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.27
Rot. Bonds4

About 6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112848989) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112848989
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(Nc3ccc(C#N)cc3)nc(C)n2)c1
InChIInChI=1S/C21H19N5O/c1-13-4-5-14(2)18(10-13)26-21(27)19-11-20(24-15(3)23-19)25-17-8-6-16(12-22)7-9-17/h4-11H,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyAYWNBPSASAYLHD-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

4-[[6-(2,5-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877401
N-(2,5-dimethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112848969
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
N-(2-cyanophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848947
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849625
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-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848919
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 112850714
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
methyl 3-[[6-[(2,5-dimethylphenyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112848978

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (CID 112848989) is 6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is Cc1ccc(C)c(NC(=O)c2cc(Nc3ccc(C#N)cc3)nc(C)n2)c1.
What is the InChIKey of 6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is AYWNBPSASAYLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-13-4-5-14(2)18(10-13)26-21(27)19-11-20(24-15(3)23-19)25-17-8-6-16(12-22)7-9-17/h4-11H,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-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 6-(4-cyanoanilino)-N-(2,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).