N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide

C25H28N4O — CID 53108650

IUPACN-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1
InChIInChI=1S/C25H28N4O/c1-29(18-19-8-4-2-5-9-19)24(30)21-14-12-20(13-15-21)22-16-26-25(27-17-22)28-23-10-6-3-7-11-23/h2,4-5,8-9,12-17,23H,3,6-7,10-11,18H2,1H3,(H,26,27,28)
InChIKeyZDOZMEAFRBXXCE-UHFFFAOYSA-N
MW400.53 g/mol
LogP5.16
Rot. Bonds6

About N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide

N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide (PubChem CID 53108650) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide
PubChem CID53108650
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1
InChIInChI=1S/C25H28N4O/c1-29(18-19-8-4-2-5-9-19)24(30)21-14-12-20(13-15-21)22-16-26-25(27-17-22)28-23-10-6-3-7-11-23/h2,4-5,8-9,12-17,23H,3,6-7,10-11,18H2,1H3,(H,26,27,28)
InChIKeyZDOZMEAFRBXXCE-UHFFFAOYSA-N
XLogP5.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide 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-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
CID 109250486
N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
CID 109119083
4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide
CID 53108614
N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
CID 53108619
N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247874
N'-benzyl-N-cyclododecyl-N'-methyloxamide
CID 108517350
N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide
CID 109246693
4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
CID 112884942
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-1-cyclopentyl-N-methylbenzimidazole-5-carboxamide
CID 3658169

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide?
The IUPAC name of N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide (CID 53108650) is N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide?
The canonical SMILES for N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1.
What is the InChIKey of N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide?
The InChIKey is ZDOZMEAFRBXXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-29(18-19-8-4-2-5-9-19)24(30)21-14-12-20(13-15-21)22-16-26-25(27-17-22)28-23-10-6-3-7-11-23/h2,4-5,8-9,12-17,23H,3,6-7,10-11,18H2,1H3,(H,26,27,28).
What are the key properties of N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide?
N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide has a molecular weight of 400.53 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide is sourced from PubChem (CID 53108650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).