4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

C24H25N3O2 — CID 118724386

IUPAC4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNc2nc(-c3ccccc3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H25N3O2/c28-23(29)20-13-11-17(12-14-20)16-25-24-26-21(18-7-3-1-4-8-18)15-22(27-24)19-9-5-2-6-10-19/h1-10,15,17,20H,11-14,16H2,(H,28,29)(H,25,26,27)
InChIKeyJLUCMOVRNQKUFS-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.11
Rot. Bonds6

About 4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 118724386) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID118724386
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNc2nc(-c3ccccc3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H25N3O2/c28-23(29)20-13-11-17(12-14-20)16-25-24-26-21(18-7-3-1-4-8-18)15-22(27-24)19-9-5-2-6-10-19/h1-10,15,17,20H,11-14,16H2,(H,28,29)(H,25,26,27)
InChIKeyJLUCMOVRNQKUFS-UHFFFAOYSA-N
XLogP5.11
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid 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

3-(3-Fluoro-phenyl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 10200045
N-(4,6-diphenylpyrimidin-2-yl)cyclohexanecarboxamide
CID 11428282
(S)-2-amino-3-(4-(2-amino-6-((R)-1-(naphthalen-2-yl)ethylamino)pyrimidin-4-yl)phenyl)propanoic acid
CID 23634331
2-{3-[6-(2,2-Difluoro-2-phenyl-ethylamino)-2-methoxy-pyrimidin-4-yl]-phenyl}-2-methyl-propionic acid
CID 53321679
4-(aminomethyl)-N-[2-phenyl-1-(6-phenylpyrimidin-4-yl)ethyl]cyclohexane-1-carboxamide
CID 67279044
6-(2-Phenyl-quinazolin-4-ylamino)-hexanoic acid
CID 2789491
(E)-3-(3-Fluoro-phenyl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-non-4-enoic acid
CID 44396497
4-[2-(Phenylamino)-4-pyrimidinyl]benzoic acid
CID 44453852
2-(4-(5-Allyl-6-methyl-2-p-tolylpyrimidin-4-ylamino)phenyl)acetic acid
CID 54580135
2-[4-[(2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]phenyl]acetic acid
CID 71624845
4-[[[4-(2-Methylphenyl)-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 118724387
4-[[[4-(2-Fluorophenyl)-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 118724388

Frequently Asked Questions

What is the IUPAC name of 4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (CID 118724386) is 4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNc2nc(-c3ccccc3)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is JLUCMOVRNQKUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-23(29)20-13-11-17(12-14-20)16-25-24-26-21(18-7-3-1-4-8-18)15-22(27-24)19-9-5-2-6-10-19/h1-10,15,17,20H,11-14,16H2,(H,28,29)(H,25,26,27).
What are the key properties of 4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 387.48 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4,6-diphenylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118724386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).