5-ethoxy-1H-pyrimidin-6-one

C6H8N2O2 — CID 3050570

IUPAC5-ethoxy-1H-pyrimidin-6-one
SMILESCCOc1cnc[nH]c1=O
InChIInChI=1S/C6H8N2O2/c1-2-10-5-3-7-4-8-6(5)9/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeyUHKRHNIGJXUSMF-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.17
Rot. Bonds2

About 5-ethoxy-1H-pyrimidin-6-one

5-ethoxy-1H-pyrimidin-6-one (PubChem CID 3050570) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-ethoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethoxy-1H-pyrimidin-6-one
PubChem CID3050570
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name5-ethoxy-1H-pyrimidin-6-one
SMILESCCOc1cnc[nH]c1=O
InChIInChI=1S/C6H8N2O2/c1-2-10-5-3-7-4-8-6(5)9/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeyUHKRHNIGJXUSMF-UHFFFAOYSA-N
XLogP0.17
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-ethoxy-1H-pyrimidin-6-one (CID 3050570) is 5-ethoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethoxy-1H-pyrimidin-6-one is CCOc1cnc[nH]c1=O.
What is the InChIKey of 5-ethoxy-1H-pyrimidin-6-one?
The InChIKey is UHKRHNIGJXUSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-10-5-3-7-4-8-6(5)9/h3-4H,2H2,1H3,(H,7,8,9).
What are the key properties of 5-ethoxy-1H-pyrimidin-6-one?
5-ethoxy-1H-pyrimidin-6-one has a molecular weight of 140.14 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 3050570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).