3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one

C11H18N2O — CID 178099241

IUPAC3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)Cn1cncc(C(C)C)c1=O
InChIInChI=1S/C11H18N2O/c1-8(2)6-13-7-12-5-10(9(3)4)11(13)14/h5,7-9H,6H2,1-4H3
InChIKeySXLATNOHEPZVGN-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.02
Rot. Bonds3

About 3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one

3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one (PubChem CID 178099241) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one
PubChem CID178099241
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)Cn1cncc(C(C)C)c1=O
InChIInChI=1S/C11H18N2O/c1-8(2)6-13-7-12-5-10(9(3)4)11(13)14/h5,7-9H,6H2,1-4H3
InChIKeySXLATNOHEPZVGN-UHFFFAOYSA-N
XLogP2.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one
CID 170583157
5-Propan-2-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 178099444
5-Butan-2-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 178099631
5-Fluoro-3-(2-methylidenebutyl)pyrimidin-4-one
CID 126793836
3,5-Di(propan-2-yl)pyrimidin-4-one
CID 20641831
3-[2-(Dimethylamino)ethyl]-5-methylpyrimidin-4-one
CID 57583977
2-(Cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286760
3,5-Ditert-butylpyrimidin-4-one
CID 59066333
2,5-Ditert-butyl-3-methylpyrimidin-4-one
CID 59218365
5-Tert-butyl-3-methylpyrimidin-4-one
CID 59598416
5-propan-2-yl-1H-pyrimidin-6-one
CID 68211213
3-Ethyl-5-propan-2-ylpyrimidin-4-one
CID 89409698

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one (CID 178099241) is 3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one is CC(C)Cn1cncc(C(C)C)c1=O.
What is the InChIKey of 3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one?
The InChIKey is SXLATNOHEPZVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)6-13-7-12-5-10(9(3)4)11(13)14/h5,7-9H,6H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one?
3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one has a molecular weight of 194.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 178099241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).