5-methoxy-1H-pyrimidin-6-one

C5H6N2O2 — CID 581046

IUPAC5-methoxy-1H-pyrimidin-6-one
SMILESCOc1cnc[nH]c1=O
InChIInChI=1S/C5H6N2O2/c1-9-4-2-6-3-7-5(4)8/h2-3H,1H3,(H,6,7,8)
InChIKeyWOKGGVGWBXBJPK-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.22
Rot. Bonds1

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

5-methoxy-1H-pyrimidin-6-one (PubChem CID 581046) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-1H-pyrimidin-6-one
PubChem CID581046
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name5-methoxy-1H-pyrimidin-6-one
SMILESCOc1cnc[nH]c1=O
InChIInChI=1S/C5H6N2O2/c1-9-4-2-6-3-7-5(4)8/h2-3H,1H3,(H,6,7,8)
InChIKeyWOKGGVGWBXBJPK-UHFFFAOYSA-N
XLogP-0.22
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-1H-pyrimidin-6-one (CID 581046) is 5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-1H-pyrimidin-6-one is COc1cnc[nH]c1=O.
What is the InChIKey of 5-methoxy-1H-pyrimidin-6-one?
The InChIKey is WOKGGVGWBXBJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-9-4-2-6-3-7-5(4)8/h2-3H,1H3,(H,6,7,8).
What are the key properties of 5-methoxy-1H-pyrimidin-6-one?
5-methoxy-1H-pyrimidin-6-one has a molecular weight of 126.11 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 581046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).