6-methoxy-3-methylpyrimidin-4-one

C6H8N2O2 — CID 5185199

IUPAC6-methoxy-3-methylpyrimidin-4-one
SMILESCOc1cc(=O)n(C)cn1
InChIInChI=1S/C6H8N2O2/c1-8-4-7-5(10-2)3-6(8)9/h3-4H,1-2H3
InChIKeyPHJZUFGDSOGNRG-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.21
Rot. Bonds1

About 6-methoxy-3-methylpyrimidin-4-one

6-methoxy-3-methylpyrimidin-4-one (PubChem CID 5185199) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 6-methoxy-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-methoxy-3-methylpyrimidin-4-one
PubChem CID5185199
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name6-methoxy-3-methylpyrimidin-4-one
SMILESCOc1cc(=O)n(C)cn1
InChIInChI=1S/C6H8N2O2/c1-8-4-7-5(10-2)3-6(8)9/h3-4H,1-2H3
InChIKeyPHJZUFGDSOGNRG-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 6-methoxy-3-methylpyrimidin-4-one?
The IUPAC name of 6-methoxy-3-methylpyrimidin-4-one (CID 5185199) is 6-methoxy-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-methoxy-3-methylpyrimidin-4-one?
The canonical SMILES for 6-methoxy-3-methylpyrimidin-4-one is COc1cc(=O)n(C)cn1.
What is the InChIKey of 6-methoxy-3-methylpyrimidin-4-one?
The InChIKey is PHJZUFGDSOGNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-8-4-7-5(10-2)3-6(8)9/h3-4H,1-2H3.
What are the key properties of 6-methoxy-3-methylpyrimidin-4-one?
6-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 6-methoxy-3-methylpyrimidin-4-one is sourced from PubChem (CID 5185199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).