3-ethyl-2,5,6-trimethylpyrimidin-4-one

C9H14N2O — CID 22091870

IUPAC3-ethyl-2,5,6-trimethylpyrimidin-4-one
SMILESCCn1c(C)nc(C)c(C)c1=O
InChIInChI=1S/C9H14N2O/c1-5-11-8(4)10-7(3)6(2)9(11)12/h5H2,1-4H3
InChIKeyFAFRTTFXISXGLE-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.19
Rot. Bonds1

About 3-ethyl-2,5,6-trimethylpyrimidin-4-one

3-ethyl-2,5,6-trimethylpyrimidin-4-one (PubChem CID 22091870) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-ethyl-2,5,6-trimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2,5,6-trimethylpyrimidin-4-one
PubChem CID22091870
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-ethyl-2,5,6-trimethylpyrimidin-4-one
SMILESCCn1c(C)nc(C)c(C)c1=O
InChIInChI=1S/C9H14N2O/c1-5-11-8(4)10-7(3)6(2)9(11)12/h5H2,1-4H3
InChIKeyFAFRTTFXISXGLE-UHFFFAOYSA-N
XLogP1.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5-Trimethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68986103
2-Ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68986585
Iodomethane;2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68987480
2-amino-3-ethyl-5,6-dimethylpyrimidin-4(3H)-one
CID 641973
3,6-Dimethyl-2-propan-2-ylpyrimidin-4-one
CID 13123700
3-Ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one
CID 13123701
5,6-Dimethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 162589057
4(3H)-Pyrimidinone, 3-ethyl-2,6-dimethyl-
CID 592279
3,5,6-Trimethylpyrimidin-4-one
CID 13149274
2,3,5,6-Tetramethylpyrimidin-4-one
CID 13149275
2,3-Dimethyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 13183101
6-chloro-2,5-dimethyl-3-ethyl-4(3H)-pyrimidinone
CID 15058927

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5,6-trimethylpyrimidin-4-one?
The IUPAC name of 3-ethyl-2,5,6-trimethylpyrimidin-4-one (CID 22091870) is 3-ethyl-2,5,6-trimethylpyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2,5,6-trimethylpyrimidin-4-one?
The canonical SMILES for 3-ethyl-2,5,6-trimethylpyrimidin-4-one is CCn1c(C)nc(C)c(C)c1=O.
What is the InChIKey of 3-ethyl-2,5,6-trimethylpyrimidin-4-one?
The InChIKey is FAFRTTFXISXGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5-11-8(4)10-7(3)6(2)9(11)12/h5H2,1-4H3.
What are the key properties of 3-ethyl-2,5,6-trimethylpyrimidin-4-one?
3-ethyl-2,5,6-trimethylpyrimidin-4-one has a molecular weight of 166.22 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5,6-trimethylpyrimidin-4-one is sourced from PubChem (CID 22091870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).