6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide

C22H21N5O — CID 112852480

IUPAC6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H21N5O/c1-15(2)14-24-22(28)19-12-20(25-18-10-8-16(13-23)9-11-18)27-21(26-19)17-6-4-3-5-7-17/h3-12,15H,14H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyLBGDCJMCKPKHIK-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.14
Rot. Bonds6

About 6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide

6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852480) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112852480
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H21N5O/c1-15(2)14-24-22(28)19-12-20(25-18-10-8-16(13-23)9-11-18)27-21(26-19)17-6-4-3-5-7-17/h3-12,15H,14H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyLBGDCJMCKPKHIK-UHFFFAOYSA-N
XLogP4.14
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-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

6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851822
6-(4-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362242
6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
CID 112853763
6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852193
N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852390
N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852605
4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881231
6-(2-methylpropylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851582
6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853277
N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852426
4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112879566

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide (CID 112852480) is 6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide is CC(C)CNC(=O)c1cc(Nc2ccc(C#N)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is LBGDCJMCKPKHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15(2)14-24-22(28)19-12-20(25-18-10-8-16(13-23)9-11-18)27-21(26-19)17-6-4-3-5-7-17/h3-12,15H,14H2,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of 6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide?
6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanoanilino)-N-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).