1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione

C18H20N2O3 — CID 45273354

IUPAC1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione
SMILESCCc1c(Oc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H20N2O3/c1-2-15-16(21)19-18(22)20(12-13-8-6-7-9-13)17(15)23-14-10-4-3-5-11-14/h3-7,10-11,13H,2,8-9,12H2,1H3,(H,19,21,22)
InChIKeyWXVUWJSLIKNMLC-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.86
Rot. Bonds5

About 1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione

1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione (PubChem CID 45273354) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione
PubChem CID45273354
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione
SMILESCCc1c(Oc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H20N2O3/c1-2-15-16(21)19-18(22)20(12-13-8-6-7-9-13)17(15)23-14-10-4-3-5-11-14/h3-7,10-11,13H,2,8-9,12H2,1H3,(H,19,21,22)
InChIKeyWXVUWJSLIKNMLC-UHFFFAOYSA-N
XLogP2.86
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-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 1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione?
The IUPAC name of 1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione (CID 45273354) is 1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione?
The canonical SMILES for 1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione is CCc1c(Oc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione?
The InChIKey is WXVUWJSLIKNMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-15-16(21)19-18(22)20(12-13-8-6-7-9-13)17(15)23-14-10-4-3-5-11-14/h3-7,10-11,13H,2,8-9,12H2,1H3,(H,19,21,22).
What are the key properties of 1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione?
1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione has a molecular weight of 312.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-6-phenoxypyrimidine-2,4-dione is sourced from PubChem (CID 45273354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).