3-ethyl-6-methylpyrimidin-4-one

C7H10N2O — CID 130993067

IUPAC3-ethyl-6-methylpyrimidin-4-one
SMILESCCn1cnc(C)cc1=O
InChIInChI=1S/C7H10N2O/c1-3-9-5-8-6(2)4-7(9)10/h4-5H,3H2,1-2H3
InChIKeyGVMJQBSSWCYDJL-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.57
Rot. Bonds1

About 3-ethyl-6-methylpyrimidin-4-one

3-ethyl-6-methylpyrimidin-4-one (PubChem CID 130993067) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-ethyl-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-6-methylpyrimidin-4-one
PubChem CID130993067
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-ethyl-6-methylpyrimidin-4-one
SMILESCCn1cnc(C)cc1=O
InChIInChI=1S/C7H10N2O/c1-3-9-5-8-6(2)4-7(9)10/h4-5H,3H2,1-2H3
InChIKeyGVMJQBSSWCYDJL-UHFFFAOYSA-N
XLogP0.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methylpyrimidin-4-one?
The IUPAC name of 3-ethyl-6-methylpyrimidin-4-one (CID 130993067) is 3-ethyl-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-ethyl-6-methylpyrimidin-4-one?
The canonical SMILES for 3-ethyl-6-methylpyrimidin-4-one is CCn1cnc(C)cc1=O.
What is the InChIKey of 3-ethyl-6-methylpyrimidin-4-one?
The InChIKey is GVMJQBSSWCYDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-9-5-8-6(2)4-7(9)10/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethyl-6-methylpyrimidin-4-one?
3-ethyl-6-methylpyrimidin-4-one has a molecular weight of 138.17 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methylpyrimidin-4-one is sourced from PubChem (CID 130993067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).