2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one

C9H12N2O — CID 163509220

IUPAC2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one
SMILESC=C(C)c1cnc(C)n(C)c1=O
InChIInChI=1S/C9H12N2O/c1-6(2)8-5-10-7(3)11(4)9(8)12/h5H,1H2,2-4H3
InChIKeyDBFWVYWYIJXOBP-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.12
Rot. Bonds1

About 2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one

2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one (PubChem CID 163509220) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one
PubChem CID163509220
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one
SMILESC=C(C)c1cnc(C)n(C)c1=O
InChIInChI=1S/C9H12N2O/c1-6(2)8-5-10-7(3)11(4)9(8)12/h5H,1H2,2-4H3
InChIKeyDBFWVYWYIJXOBP-UHFFFAOYSA-N
XLogP1.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one
CID 170583066
3-Methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one
CID 170583157
3-methyl-7,8-dihydropyrrolo[1,2-a]pyrimidin-4(6H)-one
CID 641889
5-Fluoro-3-(2-methylidenebutyl)pyrimidin-4-one
CID 126793836
3,8-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 155813677
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
3-Ethylpyrido[1,2-a]pyrimidin-4-one
CID 12354409
2,5-diethyl-1H-pyrimidin-6-one
CID 53918073
2-(Cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286760
2,3,5-Trimethylpyrimidin-4-one
CID 59134427
2,5-Ditert-butyl-3-methylpyrimidin-4-one
CID 59218365
2,3-Dimethyl-5-[[methyl(propyl)amino]methyl]pyrimidin-4-one
CID 59881373

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one (CID 163509220) is 2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one is C=C(C)c1cnc(C)n(C)c1=O.
What is the InChIKey of 2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one?
The InChIKey is DBFWVYWYIJXOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6(2)8-5-10-7(3)11(4)9(8)12/h5H,1H2,2-4H3.
What are the key properties of 2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one?
2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one has a molecular weight of 164.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-prop-1-en-2-ylpyrimidin-4-one is sourced from PubChem (CID 163509220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).