2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one

C13H20N2O — CID 58170184

IUPAC2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cnc(CCC2CC2)n(C)c1=O
InChIInChI=1S/C13H20N2O/c1-9(2)11-8-14-12(15(3)13(11)16)7-6-10-4-5-10/h8-10H,4-7H2,1-3H3
InChIKeyJPAFKYJLVYHSRQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.25
Rot. Bonds4

About 2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one

2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one (PubChem CID 58170184) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
PubChem CID58170184
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cnc(CCC2CC2)n(C)c1=O
InChIInChI=1S/C13H20N2O/c1-9(2)11-8-14-12(15(3)13(11)16)7-6-10-4-5-10/h8-10H,4-7H2,1-3H3
InChIKeyJPAFKYJLVYHSRQ-UHFFFAOYSA-N
XLogP2.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Methyl-propyl)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine
CID 15620865
2-(Cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286760
2-(Cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286796
2-(2-Cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286828
2-(Cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
CID 59304192
2-(Cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
CID 59304401
2,3-Dimethyl-5-propan-2-ylpyrimidin-4-one
CID 146614342
5-Butan-2-yl-2,3-dimethylpyrimidin-4-one
CID 153576843
3-Ethyl-5-(2-methylpropyl)pyrimidin-4-one
CID 156479916
2-(Cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 158058558
2-Tert-butyl-3,5-diethylpyrimidin-4-one
CID 164559138
2-Methyl-3,5-di(propan-2-yl)pyrimidin-4-one
CID 168412583

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
The IUPAC name of 2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one (CID 58170184) is 2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one is CC(C)c1cnc(CCC2CC2)n(C)c1=O.
What is the InChIKey of 2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
The InChIKey is JPAFKYJLVYHSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)11-8-14-12(15(3)13(11)16)7-6-10-4-5-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one has a molecular weight of 220.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 58170184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).