5-methoxy-3-methylpyrimidin-4-one

C6H8N2O2 — CID 67419227

IUPAC5-methoxy-3-methylpyrimidin-4-one
SMILESCOc1cncn(C)c1=O
InChIInChI=1S/C6H8N2O2/c1-8-4-7-3-5(10-2)6(8)9/h3-4H,1-2H3
InChIKeyZBTUBUVVUOMHFG-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.21
Rot. Bonds1

About 5-methoxy-3-methylpyrimidin-4-one

5-methoxy-3-methylpyrimidin-4-one (PubChem CID 67419227) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-methoxy-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-methoxy-3-methylpyrimidin-4-one
PubChem CID67419227
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name5-methoxy-3-methylpyrimidin-4-one
SMILESCOc1cncn(C)c1=O
InChIInChI=1S/C6H8N2O2/c1-8-4-7-3-5(10-2)6(8)9/h3-4H,1-2H3
InChIKeyZBTUBUVVUOMHFG-UHFFFAOYSA-N
XLogP-0.21
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methylpyrimidin-4-one?
The IUPAC name of 5-methoxy-3-methylpyrimidin-4-one (CID 67419227) is 5-methoxy-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-methoxy-3-methylpyrimidin-4-one?
The canonical SMILES for 5-methoxy-3-methylpyrimidin-4-one is COc1cncn(C)c1=O.
What is the InChIKey of 5-methoxy-3-methylpyrimidin-4-one?
The InChIKey is ZBTUBUVVUOMHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-8-4-7-3-5(10-2)6(8)9/h3-4H,1-2H3.
What are the key properties of 5-methoxy-3-methylpyrimidin-4-one?
5-methoxy-3-methylpyrimidin-4-one has a molecular weight of 140.14 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methylpyrimidin-4-one is sourced from PubChem (CID 67419227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).