1-ethyl-4,5-dimethylpyrimidin-2-one

C8H12N2O — CID 58719981

IUPAC1-ethyl-4,5-dimethylpyrimidin-2-one
SMILESCCn1cc(C)c(C)nc1=O
InChIInChI=1S/C8H12N2O/c1-4-10-5-6(2)7(3)9-8(10)11/h5H,4H2,1-3H3
InChIKeyQZSYXSYTAVCDTR-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.88
Rot. Bonds1

About 1-ethyl-4,5-dimethylpyrimidin-2-one

1-ethyl-4,5-dimethylpyrimidin-2-one (PubChem CID 58719981) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-ethyl-4,5-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-ethyl-4,5-dimethylpyrimidin-2-one
PubChem CID58719981
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-ethyl-4,5-dimethylpyrimidin-2-one
SMILESCCn1cc(C)c(C)nc1=O
InChIInChI=1S/C8H12N2O/c1-4-10-5-6(2)7(3)9-8(10)11/h5H,4H2,1-3H3
InChIKeyQZSYXSYTAVCDTR-UHFFFAOYSA-N
XLogP0.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoro-4-methyl-1-propan-2-ylpyrimidin-2-one
CID 89965638
5-Methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
CID 25172761
1,4,5-Trimethylpyrimidin-2(1H)-one
CID 53683439
5-Ethenyl-1,4-dimethylpyrimidin-2-one
CID 54405450
1-Tert-butyl-4-methylpyrimidin-2-one
CID 57816392
1-Tert-butyl-4,5-dimethylpyrimidin-2-one
CID 57838999
4,5-Dimethyl-1-(2-sulfanylpropan-2-yl)pyrimidin-2-one
CID 57959733
5-Methyl-1-propan-2-ylpyrimidin-2-one
CID 58336934
1,4-Dimethyl-5-propylpyrimidin-2-one
CID 58719904
1,5-Diethylpyrimidin-2-one
CID 58719912
4,5-Dimethyl-1-propan-2-ylpyrimidin-2-one
CID 66798504
1,4-Diethylpyrimidin-2-one
CID 89508919

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5-dimethylpyrimidin-2-one?
The IUPAC name of 1-ethyl-4,5-dimethylpyrimidin-2-one (CID 58719981) is 1-ethyl-4,5-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-ethyl-4,5-dimethylpyrimidin-2-one?
The canonical SMILES for 1-ethyl-4,5-dimethylpyrimidin-2-one is CCn1cc(C)c(C)nc1=O.
What is the InChIKey of 1-ethyl-4,5-dimethylpyrimidin-2-one?
The InChIKey is QZSYXSYTAVCDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-10-5-6(2)7(3)9-8(10)11/h5H,4H2,1-3H3.
What are the key properties of 1-ethyl-4,5-dimethylpyrimidin-2-one?
1-ethyl-4,5-dimethylpyrimidin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5-dimethylpyrimidin-2-one is sourced from PubChem (CID 58719981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).