N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide

C21H19N5O — CID 109267994

IUPACN-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(Nc2ncc(C(=O)Nc3ccccc3C#N)cn2)cc1
InChIInChI=1S/C21H19N5O/c1-14(2)15-7-9-18(10-8-15)25-21-23-12-17(13-24-21)20(27)26-19-6-4-3-5-16(19)11-22/h3-10,12-14H,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyZBCLUEBVQMSWSJ-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.47
Rot. Bonds5

About N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide

N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109267994) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
PubChem CID109267994
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(Nc2ncc(C(=O)Nc3ccccc3C#N)cn2)cc1
InChIInChI=1S/C21H19N5O/c1-14(2)15-7-9-18(10-8-15)25-21-23-12-17(13-24-21)20(27)26-19-6-4-3-5-16(19)11-22/h3-10,12-14H,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyZBCLUEBVQMSWSJ-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268313
N-(3-chloro-2-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267962
N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248810
2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109267991
2-(3-cyanoanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267947
methyl 3-[[5-[(2-cyanophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109270235
2-(2-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268251
N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269736
2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268383
N-(4-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-5-carboxamide
CID 109269101
2-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266440
2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109266917

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide (CID 109267994) is N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide is CC(C)c1ccc(Nc2ncc(C(=O)Nc3ccccc3C#N)cn2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is ZBCLUEBVQMSWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14(2)15-7-9-18(10-8-15)25-21-23-12-17(13-24-21)20(27)26-19-6-4-3-5-16(19)11-22/h3-10,12-14H,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 4.47, 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-(4-propan-2-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).