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

C9H14N2O — CID 14220521

IUPAC2-ethyl-3,5,6-trimethylpyrimidin-4-one
SMILESCCc1nc(C)c(C)c(=O)n1C
InChIInChI=1S/C9H14N2O/c1-5-8-10-7(3)6(2)9(12)11(8)4/h5H2,1-4H3
InChIKeyBPNPYWAWVPYVFL-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.96
Rot. Bonds1

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

2-ethyl-3,5,6-trimethylpyrimidin-4-one (PubChem CID 14220521) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-ethyl-3,5,6-trimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-3,5,6-trimethylpyrimidin-4-one
PubChem CID14220521
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-ethyl-3,5,6-trimethylpyrimidin-4-one
SMILESCCc1nc(C)c(C)c(=O)n1C
InChIInChI=1S/C9H14N2O/c1-5-8-10-7(3)6(2)9(12)11(8)4/h5H2,1-4H3
InChIKeyBPNPYWAWVPYVFL-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Dimethyl-2-propylpyrimidin-4-one
CID 89662153
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
5-(Bromomethyl)-2-ethyl-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68989943
4(3H)-Pyrimidinone, 2-ethyl-3,6-dimethyl-
CID 551082
3,6-Dimethyl-2-propan-2-ylpyrimidin-4-one
CID 13123700
3-Ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one
CID 13123701
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
2,3,6,7,9-Pentamethylpyrazino[1,2-a]pyrimidin-4-one
CID 20583166

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5,6-trimethylpyrimidin-4-one?
The IUPAC name of 2-ethyl-3,5,6-trimethylpyrimidin-4-one (CID 14220521) is 2-ethyl-3,5,6-trimethylpyrimidin-4-one.
What is the SMILES notation for 2-ethyl-3,5,6-trimethylpyrimidin-4-one?
The canonical SMILES for 2-ethyl-3,5,6-trimethylpyrimidin-4-one is CCc1nc(C)c(C)c(=O)n1C.
What is the InChIKey of 2-ethyl-3,5,6-trimethylpyrimidin-4-one?
The InChIKey is BPNPYWAWVPYVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-5-8-10-7(3)6(2)9(12)11(8)4/h5H2,1-4H3.
What are the key properties of 2-ethyl-3,5,6-trimethylpyrimidin-4-one?
2-ethyl-3,5,6-trimethylpyrimidin-4-one has a molecular weight of 166.22 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5,6-trimethylpyrimidin-4-one is sourced from PubChem (CID 14220521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).