6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione

C13H18N2O2 — CID 89440921

IUPAC6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCn1c(=O)cc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C13H18N2O2/c1-2-8-15-12(16)9-11(14-13(15)17)10-6-4-3-5-7-10/h2,9-10H,1,3-8H2,(H,14,17)
InChIKeyGGRGEPQTQCXKDI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.77
Rot. Bonds3

About 6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione

6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione (PubChem CID 89440921) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione
PubChem CID89440921
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione
SMILESC=CCn1c(=O)cc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C13H18N2O2/c1-2-8-15-12(16)9-11(14-13(15)17)10-6-4-3-5-7-10/h2,9-10H,1,3-8H2,(H,14,17)
InChIKeyGGRGEPQTQCXKDI-UHFFFAOYSA-N
XLogP1.77
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-cyclohexyl-3-prop-2-enyl-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

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione (CID 89440921) is 6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione is C=CCn1c(=O)cc(C2CCCCC2)[nH]c1=O.
What is the InChIKey of 6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione?
The InChIKey is GGRGEPQTQCXKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-8-15-12(16)9-11(14-13(15)17)10-6-4-3-5-7-10/h2,9-10H,1,3-8H2,(H,14,17).
What are the key properties of 6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione?
6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione has a molecular weight of 234.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-prop-2-enyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 89440921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).