N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide

C21H19N5O — CID 109330431

IUPACN-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C#N)nc(NCCc2ccccc2)n1
InChIInChI=1S/C21H19N5O/c1-15-13-19(20(27)25-18-10-6-5-9-17(18)14-22)26-21(24-15)23-12-11-16-7-3-2-4-8-16/h2-10,13H,11-12H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyRKNSQJWFUUFPQZ-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.56
Rot. Bonds6

About N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide

N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109330431) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109330431
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C#N)nc(NCCc2ccccc2)n1
InChIInChI=1S/C21H19N5O/c1-15-13-19(20(27)25-18-10-6-5-9-17(18)14-22)26-21(24-15)23-12-11-16-7-3-2-4-8-16/h2-10,13H,11-12H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyRKNSQJWFUUFPQZ-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325548
N-(2-cyanophenyl)-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328716
2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338178
N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259614
N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336209
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330392
N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336635
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330438
N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332465
N-(2-cyanophenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337446
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330424

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 109330431) is N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2C#N)nc(NCCc2ccccc2)n1.
What is the InChIKey of N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is RKNSQJWFUUFPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-15-13-19(20(27)25-18-10-6-5-9-17(18)14-22)26-21(24-15)23-12-11-16-7-3-2-4-8-16/h2-10,13H,11-12H2,1H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).