2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

C21H19N5O — CID 109330527

IUPAC2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C21H19N5O/c1-15-13-19(20(27)23-12-11-16-5-3-2-4-6-16)26-21(24-15)25-18-9-7-17(14-22)8-10-18/h2-10,13H,11-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyJQCPNEVUHCGPOM-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.37
Rot. Bonds6

About 2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109330527) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109330527
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C21H19N5O/c1-15-13-19(20(27)23-12-11-16-5-3-2-4-6-16)26-21(24-15)25-18-9-7-17(14-22)8-10-18/h2-10,13H,11-12H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyJQCPNEVUHCGPOM-UHFFFAOYSA-N
XLogP3.37
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(4-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109331741
2-anilino-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334618
2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331159
N-[(4-chlorophenyl)methyl]-2-(4-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109329082
2-(4-cyanoanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336829
2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259496
2-(3-chloro-4-methylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332541
2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336078
6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332517
2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334617
2-(4-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336944
2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338130

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109330527) is 2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCc2ccccc2)nc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is JQCPNEVUHCGPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-15-13-19(20(27)23-12-11-16-5-3-2-4-6-16)26-21(24-15)25-18-9-7-17(14-22)8-10-18/h2-10,13H,11-12H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).