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

C8H12N2O — CID 551082

IUPAC2-ethyl-3,6-dimethylpyrimidin-4-one
SMILESCCc1nc(C)cc(=O)n1C
InChIInChI=1S/C8H12N2O/c1-4-7-9-6(2)5-8(11)10(7)3/h5H,4H2,1-3H3
InChIKeySOZOAMOWLSLRNG-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.65
Rot. Bonds1

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

2-ethyl-3,6-dimethylpyrimidin-4-one (PubChem CID 551082) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-ethyl-3,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-3,6-dimethylpyrimidin-4-one
PubChem CID551082
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-ethyl-3,6-dimethylpyrimidin-4-one
SMILESCCc1nc(C)cc(=O)n1C
InChIInChI=1S/C8H12N2O/c1-4-7-9-6(2)5-8(11)10(7)3/h5H,4H2,1-3H3
InChIKeySOZOAMOWLSLRNG-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4H-pyrido(1,2-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-2-methyl-
CID 529095
2-methyl-7,8,9,10-tetrahydropyrimido[1,2-a]azepin-4(6H)-one
CID 718922
4(3H)-Pyrimidinone, 2,3,6-trimethyl-
CID 544953
6-methyl-2-propylpyrimidin-4(3H)-one
CID 135516607
2-Methyl-4h,6h,7h,8h-pyrrolo[1,2-a]pyrimidin-4-one
CID 1571397
3,6-Dimethyl-2-propylpyrimidin-4-one
CID 89662153
1,4-Dimethyl-6-oxopyrimidine-2-carbonitrile
CID 12415532
3,6-Dimethyl-2-propan-2-ylpyrimidin-4-one
CID 13123700
3-Ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one
CID 13123701
3-Ethyl-6-methyl-2-propylpyrimidin-4-one
CID 134868748
(2,4-Dimethyl-6-oxopyrimidin-1-yl)methyl-trifluoroboranuide
CID 63794038
3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746400

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,6-dimethylpyrimidin-4-one?
The IUPAC name of 2-ethyl-3,6-dimethylpyrimidin-4-one (CID 551082) is 2-ethyl-3,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 2-ethyl-3,6-dimethylpyrimidin-4-one?
The canonical SMILES for 2-ethyl-3,6-dimethylpyrimidin-4-one is CCc1nc(C)cc(=O)n1C.
What is the InChIKey of 2-ethyl-3,6-dimethylpyrimidin-4-one?
The InChIKey is SOZOAMOWLSLRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-7-9-6(2)5-8(11)10(7)3/h5H,4H2,1-3H3.
What are the key properties of 2-ethyl-3,6-dimethylpyrimidin-4-one?
2-ethyl-3,6-dimethylpyrimidin-4-one has a molecular weight of 152.20 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 551082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).