N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide

C21H19N5O — CID 112851336

IUPACN-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccccc2C#N)nc(-c2ccccc2)n1
InChIInChI=1S/C21H19N5O/c1-2-12-23-19-13-18(24-20(26-19)15-8-4-3-5-9-15)21(27)25-17-11-7-6-10-16(17)14-22/h3-11,13H,2,12H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyWZMZQUSZASQTTH-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.09
Rot. Bonds6

About N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide

N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide (PubChem CID 112851336) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
PubChem CID112851336
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccccc2C#N)nc(-c2ccccc2)n1
InChIInChI=1S/C21H19N5O/c1-2-12-23-19-13-18(24-20(26-19)15-8-4-3-5-9-15)21(27)25-17-11-7-6-10-16(17)14-22/h3-11,13H,2,12H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyWZMZQUSZASQTTH-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112852260
N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851324
N-(2-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271145
N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851322
methyl 4-[[2-phenyl-6-(propylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 112851328
6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853277
6-(butylamino)-2-phenyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112852272
N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109294912
6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 42603313
6-[2-(dimethylamino)ethylamino]-N-(2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853624
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 112851285
N-(1,3-benzodioxol-5-yl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851331

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide (CID 112851336) is N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide is CCCNc1cc(C(=O)Nc2ccccc2C#N)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is WZMZQUSZASQTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-2-12-23-19-13-18(24-20(26-19)15-8-4-3-5-9-15)21(27)25-17-11-7-6-10-16(17)14-22/h3-11,13H,2,12H2,1H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112851336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).