4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one

C13H14N2O3 — CID 136691852

IUPAC4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCCOc1ccc(-c2nc[nH]c(=O)c2OC)cc1
InChIInChI=1S/C13H14N2O3/c1-3-18-10-6-4-9(5-7-10)11-12(17-2)13(16)15-8-14-11/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyMTTFAADINDEJLL-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.84
Rot. Bonds4

About 4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one

4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136691852) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136691852
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one
SMILESCCOc1ccc(-c2nc[nH]c(=O)c2OC)cc1
InChIInChI=1S/C13H14N2O3/c1-3-18-10-6-4-9(5-7-10)11-12(17-2)13(16)15-8-14-11/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyMTTFAADINDEJLL-UHFFFAOYSA-N
XLogP1.84
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one 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 4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one (CID 136691852) is 4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one is CCOc1ccc(-c2nc[nH]c(=O)c2OC)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is MTTFAADINDEJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-18-10-6-4-9(5-7-10)11-12(17-2)13(16)15-8-14-11/h4-8H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one?
4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 246.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136691852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).