2,3,6-trimethylpyrimidin-4-one

C7H10N2O — CID 544953

IUPAC2,3,6-trimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(C)n1
InChIInChI=1S/C7H10N2O/c1-5-4-7(10)9(3)6(2)8-5/h4H,1-3H3
InChIKeyDGWISBUXQOTURD-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.40
Rot. Bonds

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

2,3,6-trimethylpyrimidin-4-one (PubChem CID 544953) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2,3,6-trimethylpyrimidin-4-one.

Molecular Properties

Compound Name2,3,6-trimethylpyrimidin-4-one
PubChem CID544953
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2,3,6-trimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(C)n1
InChIInChI=1S/C7H10N2O/c1-5-4-7(10)9(3)6(2)8-5/h4H,1-3H3
InChIKeyDGWISBUXQOTURD-UHFFFAOYSA-N
XLogP0.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-1H-pyrimidin-4-one
CID 135408640
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
2-Methyl-4h,6h,7h,8h-pyrrolo[1,2-a]pyrimidin-4-one
CID 1571397
6-Amino-2,3-dimethyl-4(3H)-pyrimidinone
CID 12778112
3,6-Dimethyl-2-propylpyrimidin-4-one
CID 89662153
3,6-Dimethyl-2-(trifluoromethyl)pyrimidin-4-one
CID 117972861
3-Methyl-2,6-bis(trifluoromethyl)pyrimidin-4-one
CID 140138876
1,6-Dimethylpyrimidin-4-one
CID 303833
4(3H)-Pyrimidinone, 2-ethyl-3,6-dimethyl-
CID 551082
3,6-Dimethylpyrimidin-4(3H)-one
CID 13149273
1,4-Dimethyl-6-oxopyrimidine-2-carbonitrile
CID 12415532
3,6-Dimethyl-2-propan-2-ylpyrimidin-4-one
CID 13123700

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylpyrimidin-4-one?
The IUPAC name of 2,3,6-trimethylpyrimidin-4-one (CID 544953) is 2,3,6-trimethylpyrimidin-4-one.
What is the SMILES notation for 2,3,6-trimethylpyrimidin-4-one?
The canonical SMILES for 2,3,6-trimethylpyrimidin-4-one is Cc1cc(=O)n(C)c(C)n1.
What is the InChIKey of 2,3,6-trimethylpyrimidin-4-one?
The InChIKey is DGWISBUXQOTURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-4-7(10)9(3)6(2)8-5/h4H,1-3H3.
What are the key properties of 2,3,6-trimethylpyrimidin-4-one?
2,3,6-trimethylpyrimidin-4-one has a molecular weight of 138.17 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylpyrimidin-4-one is sourced from PubChem (CID 544953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).