3-ethyl-2,6-dimethylpyrimidin-4-one

C8H12N2O — CID 592279

IUPAC3-ethyl-2,6-dimethylpyrimidin-4-one
SMILESCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C8H12N2O/c1-4-10-7(3)9-6(2)5-8(10)11/h5H,4H2,1-3H3
InChIKeyIYVQYIYLQWXOMB-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.88
Rot. Bonds1

About 3-ethyl-2,6-dimethylpyrimidin-4-one

3-ethyl-2,6-dimethylpyrimidin-4-one (PubChem CID 592279) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-ethyl-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2,6-dimethylpyrimidin-4-one
PubChem CID592279
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-ethyl-2,6-dimethylpyrimidin-4-one
SMILESCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C8H12N2O/c1-4-10-7(3)9-6(2)5-8(10)11/h5H,4H2,1-3H3
InChIKeyIYVQYIYLQWXOMB-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

2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
4H-pyrido(1,2-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-2-methyl-
CID 529095
4-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 594758
2-methyl-7,8,9,10-tetrahydropyrimido[1,2-a]azepin-4(6H)-one
CID 718922
6-(Diethylaminomethyl)-4-hydroxy-2-methylpyrimidine
CID 135508651
4(3H)-Pyrimidinone, 2,3,6-trimethyl-
CID 544953
6-Methyl-3-(prop-2-yn-1-yl)-3,4-dihydropyrimidin-4-one
CID 61342662
2-Methyl-4h,6h,7h,8h-pyrrolo[1,2-a]pyrimidin-4-one
CID 1571397
7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one
CID 139231819
3,6-Dimethyl-2-propylpyrimidin-4-one
CID 89662153
N-((6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)methyl)acetamide
CID 136208150
3-[(E)-but-2-enyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 21510801

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-ethyl-2,6-dimethylpyrimidin-4-one (CID 592279) is 3-ethyl-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-ethyl-2,6-dimethylpyrimidin-4-one is CCn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-ethyl-2,6-dimethylpyrimidin-4-one?
The InChIKey is IYVQYIYLQWXOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-10-7(3)9-6(2)5-8(10)11/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-2,6-dimethylpyrimidin-4-one?
3-ethyl-2,6-dimethylpyrimidin-4-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 3-ethyl-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 592279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).