6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

C21H19N5O — CID 112849147

IUPAC6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(Nc3ccccc3C#N)nc(C)n2)c1
InChIInChI=1S/C21H19N5O/c1-13-8-14(2)10-17(9-13)25-21(27)19-11-20(24-15(3)23-19)26-18-7-5-4-6-16(18)12-22/h4-11H,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyDIACTAKPURPREH-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.27
Rot. Bonds4

About 6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849147) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112849147
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(Nc3ccccc3C#N)nc(C)n2)c1
InChIInChI=1S/C21H19N5O/c1-13-8-14(2)10-17(9-13)25-21(27)19-11-20(24-15(3)23-19)26-18-7-5-4-6-16(18)12-22/h4-11H,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyDIACTAKPURPREH-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-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848467
N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850860
N-(2-cyanophenyl)-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112848255
N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849682
N-(3-chloro-4-fluorophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850360
N-(2-cyanophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848947
6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360758
6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850016
N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 112850765
4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219956
6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849713
N-(3-cyanophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848112

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (CID 112849147) is 6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is Cc1cc(C)cc(NC(=O)c2cc(Nc3ccccc3C#N)nc(C)n2)c1.
What is the InChIKey of 6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is DIACTAKPURPREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-13-8-14(2)10-17(9-13)25-21(27)19-11-20(24-15(3)23-19)26-18-7-5-4-6-16(18)12-22/h4-11H,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of 6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
6-(2-cyanoanilino)-N-(3,5-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-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).