ethane;2,3,6-trimethylpyrimidin-4-one

C9H16N2O — CID 145287260

IUPACethane;2,3,6-trimethylpyrimidin-4-one
SMILESCC.Cc1cc(=O)n(C)c(C)n1
InChIInChI=1S/C7H10N2O.C2H6/c1-5-4-7(10)9(3)6(2)8-5;1-2/h4H,1-3H3;1-2H3
InChIKeyWLHUKIVMZAABRT-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.42
Rot. Bonds

About ethane;2,3,6-trimethylpyrimidin-4-one

ethane;2,3,6-trimethylpyrimidin-4-one (PubChem CID 145287260) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is ethane;2,3,6-trimethylpyrimidin-4-one.

Molecular Properties

Compound Nameethane;2,3,6-trimethylpyrimidin-4-one
PubChem CID145287260
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameethane;2,3,6-trimethylpyrimidin-4-one
SMILESCC.Cc1cc(=O)n(C)c(C)n1
InChIInChI=1S/C7H10N2O.C2H6/c1-5-4-7(10)9(3)6(2)8-5;1-2/h4H,1-3H3;1-2H3
InChIKeyWLHUKIVMZAABRT-UHFFFAOYSA-N
XLogP1.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.42
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
6-(Diethylaminomethyl)-4-hydroxy-2-methylpyrimidine
CID 135508651
4(3H)-Pyrimidinone, 2,3,6-trimethyl-
CID 544953
2-Methyl-4h,6h,7h,8h-pyrrolo[1,2-a]pyrimidin-4-one
CID 1571397
3,6-Dimethyl-2-propylpyrimidin-4-one
CID 89662153
3,6-Dimethyl-2-(trifluoromethyl)pyrimidin-4-one
CID 117972861
4(3H)-Pyrimidinone, 2-ethyl-3,6-dimethyl-
CID 551082
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
2-(dimethylamino)-4-[(E)-2-(dimethylamino)prop-1-enyl]-8-methylpyrimido[1,2-a][1,3,5]triazin-6-one
CID 60145820
6-Methyl-2-methyl-sulfanylpyrimidin-4(3h)-one
CID 129767643

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,6-trimethylpyrimidin-4-one?
The IUPAC name of ethane;2,3,6-trimethylpyrimidin-4-one (CID 145287260) is ethane;2,3,6-trimethylpyrimidin-4-one.
What is the SMILES notation for ethane;2,3,6-trimethylpyrimidin-4-one?
The canonical SMILES for ethane;2,3,6-trimethylpyrimidin-4-one is CC.Cc1cc(=O)n(C)c(C)n1.
What is the InChIKey of ethane;2,3,6-trimethylpyrimidin-4-one?
The InChIKey is WLHUKIVMZAABRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C2H6/c1-5-4-7(10)9(3)6(2)8-5;1-2/h4H,1-3H3;1-2H3.
What are the key properties of ethane;2,3,6-trimethylpyrimidin-4-one?
ethane;2,3,6-trimethylpyrimidin-4-one has a molecular weight of 168.24 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,6-trimethylpyrimidin-4-one is sourced from PubChem (CID 145287260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).