2-ethyl-4-propoxy-1H-pyrimidin-6-one

C9H14N2O2 — CID 45117356

IUPAC2-ethyl-4-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C9H14N2O2/c1-3-5-13-9-6-8(12)10-7(4-2)11-9/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyDYTOWKIDBXMVKR-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.12
Rot. Bonds4

About 2-ethyl-4-propoxy-1H-pyrimidin-6-one

2-ethyl-4-propoxy-1H-pyrimidin-6-one (PubChem CID 45117356) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-ethyl-4-propoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-propoxy-1H-pyrimidin-6-one
PubChem CID45117356
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-ethyl-4-propoxy-1H-pyrimidin-6-one
SMILESCCCOc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C9H14N2O2/c1-3-5-13-9-6-8(12)10-7(4-2)11-9/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyDYTOWKIDBXMVKR-UHFFFAOYSA-N
XLogP1.12
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-4-propoxy-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 2-ethyl-4-propoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-propoxy-1H-pyrimidin-6-one (CID 45117356) is 2-ethyl-4-propoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-propoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-propoxy-1H-pyrimidin-6-one is CCCOc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 2-ethyl-4-propoxy-1H-pyrimidin-6-one?
The InChIKey is DYTOWKIDBXMVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-5-13-9-6-8(12)10-7(4-2)11-9/h6H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 2-ethyl-4-propoxy-1H-pyrimidin-6-one?
2-ethyl-4-propoxy-1H-pyrimidin-6-one has a molecular weight of 182.22 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 45117356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).