3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one

C14H24N2O — CID 90761642

IUPAC3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)CC(C)(C)n1cncc(C(C)C)c1=O
InChIInChI=1S/C14H24N2O/c1-10(2)7-14(5,6)16-9-15-8-12(11(3)4)13(16)17/h8-11H,7H2,1-6H3
InChIKeySYVOMLVMINLUEI-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.15
Rot. Bonds4

About 3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one

3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one (PubChem CID 90761642) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one
PubChem CID90761642
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)CC(C)(C)n1cncc(C(C)C)c1=O
InChIInChI=1S/C14H24N2O/c1-10(2)7-14(5,6)16-9-15-8-12(11(3)4)13(16)17/h8-11H,7H2,1-6H3
InChIKeySYVOMLVMINLUEI-UHFFFAOYSA-N
XLogP3.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.15
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
3,5-Di(propan-2-yl)pyrimidin-4-one
CID 20641831
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-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
3-Ethyl-5-(2-methylpropyl)pyrimidin-4-one
CID 156479916
3-Ethyl-5-propylpyrimidin-4-one
CID 156480009
3,5-Di(propan-2-yl)pyrimidin-4-one;methane;tungsten
CID 159722767

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one (CID 90761642) is 3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one is CC(C)CC(C)(C)n1cncc(C(C)C)c1=O.
What is the InChIKey of 3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one?
The InChIKey is SYVOMLVMINLUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)7-14(5,6)16-9-15-8-12(11(3)4)13(16)17/h8-11H,7H2,1-6H3.
What are the key properties of 3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one?
3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one has a molecular weight of 236.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 90761642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).