2-methoxy-3,5,6-trimethylpyrimidin-4-one

C8H12N2O2 — CID 13357773

IUPAC2-methoxy-3,5,6-trimethylpyrimidin-4-one
SMILESCOc1nc(C)c(C)c(=O)n1C
InChIInChI=1S/C8H12N2O2/c1-5-6(2)9-8(12-4)10(3)7(5)11/h1-4H3
InChIKeyXLRXNRKADYAKPR-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.41
Rot. Bonds1

About 2-methoxy-3,5,6-trimethylpyrimidin-4-one

2-methoxy-3,5,6-trimethylpyrimidin-4-one (PubChem CID 13357773) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methoxy-3,5,6-trimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-3,5,6-trimethylpyrimidin-4-one
PubChem CID13357773
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-methoxy-3,5,6-trimethylpyrimidin-4-one
SMILESCOc1nc(C)c(C)c(=O)n1C
InChIInChI=1S/C8H12N2O2/c1-5-6(2)9-8(12-4)10(3)7(5)11/h1-4H3
InChIKeyXLRXNRKADYAKPR-UHFFFAOYSA-N
XLogP0.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,5,6-trimethylpyrimidin-4-one?
The IUPAC name of 2-methoxy-3,5,6-trimethylpyrimidin-4-one (CID 13357773) is 2-methoxy-3,5,6-trimethylpyrimidin-4-one.
What is the SMILES notation for 2-methoxy-3,5,6-trimethylpyrimidin-4-one?
The canonical SMILES for 2-methoxy-3,5,6-trimethylpyrimidin-4-one is COc1nc(C)c(C)c(=O)n1C.
What is the InChIKey of 2-methoxy-3,5,6-trimethylpyrimidin-4-one?
The InChIKey is XLRXNRKADYAKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-6(2)9-8(12-4)10(3)7(5)11/h1-4H3.
What are the key properties of 2-methoxy-3,5,6-trimethylpyrimidin-4-one?
2-methoxy-3,5,6-trimethylpyrimidin-4-one has a molecular weight of 168.20 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,5,6-trimethylpyrimidin-4-one is sourced from PubChem (CID 13357773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).