N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide

C21H19N5O — CID 109336209

IUPACN-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nc(C)cc(C(=O)Nc2ccccc2C#N)n1
InChIInChI=1S/C21H19N5O/c1-3-15-8-4-6-10-17(15)25-21-23-14(2)12-19(26-21)20(27)24-18-11-7-5-9-16(18)13-22/h4-12H,3H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyZVTSBJRWJPCQAK-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.22
Rot. Bonds5

About N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide

N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336209) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109336209
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nc(C)cc(C(=O)Nc2ccccc2C#N)n1
InChIInChI=1S/C21H19N5O/c1-3-15-8-4-6-10-17(15)25-21-23-14(2)12-19(26-21)20(27)24-18-11-7-5-9-16(18)13-22/h4-12H,3H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyZVTSBJRWJPCQAK-UHFFFAOYSA-N
XLogP4.22
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336635
2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338178
N-(2-cyanophenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337446
2-(4-chloro-2-methylanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337276
2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337478
N-(2,4-difluorophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336207
2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336942
2-(2-chloro-4,6-dimethylanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337375
N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337510
N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330431
N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337762
2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330790

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide (CID 109336209) is N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide is CCc1ccccc1Nc1nc(C)cc(C(=O)Nc2ccccc2C#N)n1.
What is the InChIKey of N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is ZVTSBJRWJPCQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-3-15-8-4-6-10-17(15)25-21-23-14(2)12-19(26-21)20(27)24-18-11-7-5-9-16(18)13-22/h4-12H,3H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide?
N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).