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

C12H18N2O — CID 178099363

IUPAC3-(cyclobutylmethyl)-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cncn(CC2CCC2)c1=O
InChIInChI=1S/C12H18N2O/c1-9(2)11-6-13-8-14(12(11)15)7-10-4-3-5-10/h6,8-10H,3-5,7H2,1-2H3
InChIKeyUQVXDTVSKSYGBZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.17
Rot. Bonds3

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

3-(cyclobutylmethyl)-5-propan-2-ylpyrimidin-4-one (PubChem CID 178099363) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-5-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-5-propan-2-ylpyrimidin-4-one
PubChem CID178099363
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(cyclobutylmethyl)-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cncn(CC2CCC2)c1=O
InChIInChI=1S/C12H18N2O/c1-9(2)11-6-13-8-14(12(11)15)7-10-4-3-5-10/h6,8-10H,3-5,7H2,1-2H3
InChIKeyUQVXDTVSKSYGBZ-UHFFFAOYSA-N
XLogP2.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3,5-Di(propan-2-yl)pyrimidin-4-one
CID 20641831
2-(Cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286760
3,5-Ditert-butylpyrimidin-4-one
CID 59066333
3-Ethyl-5-propan-2-ylpyrimidin-4-one
CID 89409698
5-Ethyl-3-propan-2-ylpyrimidin-4-one
CID 89749441
3,5-Diethylpyrimidin-4-one
CID 89749476
3-(2,4-Dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one
CID 90761642
3-Methyl-5-propan-2-ylpyrimidin-4-one
CID 126706123
5-Tert-butyl-3-propan-2-ylpyrimidin-4-one
CID 132238867
2,3-Dimethyl-5-propan-2-ylpyrimidin-4-one
CID 146614342

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-5-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-(cyclobutylmethyl)-5-propan-2-ylpyrimidin-4-one (CID 178099363) is 3-(cyclobutylmethyl)-5-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-(cyclobutylmethyl)-5-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-(cyclobutylmethyl)-5-propan-2-ylpyrimidin-4-one is CC(C)c1cncn(CC2CCC2)c1=O.
What is the InChIKey of 3-(cyclobutylmethyl)-5-propan-2-ylpyrimidin-4-one?
The InChIKey is UQVXDTVSKSYGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)11-6-13-8-14(12(11)15)7-10-4-3-5-10/h6,8-10H,3-5,7H2,1-2H3.
What are the key properties of 3-(cyclobutylmethyl)-5-propan-2-ylpyrimidin-4-one?
3-(cyclobutylmethyl)-5-propan-2-ylpyrimidin-4-one has a molecular weight of 206.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-5-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 178099363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).