5-ethyl-3-methylpyrimidin-4-one

C7H10N2O — CID 126718918

IUPAC5-ethyl-3-methylpyrimidin-4-one
SMILESCCc1cncn(C)c1=O
InChIInChI=1S/C7H10N2O/c1-3-6-4-8-5-9(2)7(6)10/h4-5H,3H2,1-2H3
InChIKeyYFIZROXGKWHEBU-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.34
Rot. Bonds1

About 5-ethyl-3-methylpyrimidin-4-one

5-ethyl-3-methylpyrimidin-4-one (PubChem CID 126718918) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-ethyl-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-methylpyrimidin-4-one
PubChem CID126718918
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name5-ethyl-3-methylpyrimidin-4-one
SMILESCCc1cncn(C)c1=O
InChIInChI=1S/C7H10N2O/c1-3-6-4-8-5-9(2)7(6)10/h4-5H,3H2,1-2H3
InChIKeyYFIZROXGKWHEBU-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methylpyrimidin-4-one?
The IUPAC name of 5-ethyl-3-methylpyrimidin-4-one (CID 126718918) is 5-ethyl-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-ethyl-3-methylpyrimidin-4-one?
The canonical SMILES for 5-ethyl-3-methylpyrimidin-4-one is CCc1cncn(C)c1=O.
What is the InChIKey of 5-ethyl-3-methylpyrimidin-4-one?
The InChIKey is YFIZROXGKWHEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-6-4-8-5-9(2)7(6)10/h4-5H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-methylpyrimidin-4-one?
5-ethyl-3-methylpyrimidin-4-one has a molecular weight of 138.17 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methylpyrimidin-4-one is sourced from PubChem (CID 126718918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).