4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide

C25H28N4O — CID 53108614

IUPAC4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)cc1
InChIInChI=1S/C25H28N4O/c1-2-18-8-14-23(15-9-18)28-24(30)20-12-10-19(11-13-20)21-16-26-25(27-17-21)29-22-6-4-3-5-7-22/h8-17,22H,2-7H2,1H3,(H,28,30)(H,26,27,29)
InChIKeyHOAAOURNCGXJSZ-UHFFFAOYSA-N
MW400.53 g/mol
LogP5.70
Rot. Bonds6

About 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide

4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide (PubChem CID 53108614) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide
PubChem CID53108614
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)cc1
InChIInChI=1S/C25H28N4O/c1-2-18-8-14-23(15-9-18)28-24(30)20-12-10-19(11-13-20)21-16-26-25(27-17-21)29-22-6-4-3-5-7-22/h8-17,22H,2-7H2,1H3,(H,28,30)(H,26,27,29)
InChIKeyHOAAOURNCGXJSZ-UHFFFAOYSA-N
XLogP5.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide 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

N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
CID 53108619
N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide
CID 143314196
N-butyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
CID 20972697
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109263206
4-(cyclopentylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 109059369
N-[4-(cyclopentylamino)phenyl]-4-methylbenzamide
CID 112980589
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102
N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250637
N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide
CID 53108650
2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109263201
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-(4-ethylphenyl)cyclododecanamine
CID 63422898

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide?
The IUPAC name of 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide (CID 53108614) is 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide?
The canonical SMILES for 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide is CCc1ccc(NC(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)cc1.
What is the InChIKey of 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide?
The InChIKey is HOAAOURNCGXJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-2-18-8-14-23(15-9-18)28-24(30)20-12-10-19(11-13-20)21-16-26-25(27-17-21)29-22-6-4-3-5-7-22/h8-17,22H,2-7H2,1H3,(H,28,30)(H,26,27,29).
What are the key properties of 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide?
4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide has a molecular weight of 400.53 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 53108614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).