2,3-diethyl-5-propan-2-ylpyrimidin-4-one

C11H18N2O — CID 177151244

IUPAC2,3-diethyl-5-propan-2-ylpyrimidin-4-one
SMILESCCc1ncc(C(C)C)c(=O)n1CC
InChIInChI=1S/C11H18N2O/c1-5-10-12-7-9(8(3)4)11(14)13(10)6-2/h7-8H,5-6H2,1-4H3
InChIKeyJELXYMYHWXUPSV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.95
Rot. Bonds3

About 2,3-diethyl-5-propan-2-ylpyrimidin-4-one

2,3-diethyl-5-propan-2-ylpyrimidin-4-one (PubChem CID 177151244) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,3-diethyl-5-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name2,3-diethyl-5-propan-2-ylpyrimidin-4-one
PubChem CID177151244
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,3-diethyl-5-propan-2-ylpyrimidin-4-one
SMILESCCc1ncc(C(C)C)c(=O)n1CC
InChIInChI=1S/C11H18N2O/c1-5-10-12-7-9(8(3)4)11(14)13(10)6-2/h7-8H,5-6H2,1-4H3
InChIKeyJELXYMYHWXUPSV-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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
5-Propan-2-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 178099444
3-(1-Methyl-propyl)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine
CID 15620865
3,5-Di(propan-2-yl)pyrimidin-4-one
CID 20641831
2-cyclopropyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 23465449
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 24903855
2-(2-Cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58170184
2-(Cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286760
2-(Cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286796

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5-propan-2-ylpyrimidin-4-one?
The IUPAC name of 2,3-diethyl-5-propan-2-ylpyrimidin-4-one (CID 177151244) is 2,3-diethyl-5-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 2,3-diethyl-5-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 2,3-diethyl-5-propan-2-ylpyrimidin-4-one is CCc1ncc(C(C)C)c(=O)n1CC.
What is the InChIKey of 2,3-diethyl-5-propan-2-ylpyrimidin-4-one?
The InChIKey is JELXYMYHWXUPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-10-12-7-9(8(3)4)11(14)13(10)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,3-diethyl-5-propan-2-ylpyrimidin-4-one?
2,3-diethyl-5-propan-2-ylpyrimidin-4-one has a molecular weight of 194.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-5-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 177151244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).