6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione

C16H18N2O2 — CID 95473920

IUPAC6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(-c2ccc(C3CCCCC3)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C16H18N2O2/c19-15-10-14(17-16(20)18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,17,18,19,20)
InChIKeyHBICGQPUYVWJBR-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.78
Rot. Bonds2

About 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione

6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 95473920) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID95473920
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(-c2ccc(C3CCCCC3)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C16H18N2O2/c19-15-10-14(17-16(20)18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,17,18,19,20)
InChIKeyHBICGQPUYVWJBR-UHFFFAOYSA-N
XLogP2.78
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione 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-(4-cyclobutylphenyl)-1H-pyridin-2-one
CID 106521742
2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 67281704
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
2-tert-butyl-4-(4-cyclobutylphenyl)-1H-pyrimidin-6-one
CID 136770161
4-[4-(4-cyclohexylphenyl)phenyl]cyclohexan-1-amine
CID 139515276
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
methyl 5-(4-cyclohexylphenyl)-1H-pyrrole-3-carboxylate
CID 66974561
1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 82305684
6-(4-cyclobutylphenyl)-1H-pyridine-2-thione
CID 106521765
6-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 121146641
3-(4-cyclohexylphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761447

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione (CID 95473920) is 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione is O=c1cc(-c2ccc(C3CCCCC3)cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is HBICGQPUYVWJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15-10-14(17-16(20)18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,17,18,19,20).
What are the key properties of 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione?
6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95473920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).