5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one

C11H18N2O — CID 140905805

IUPAC5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one
SMILESCc1cn(C(C)C)c(C(C)C)nc1=O
InChIInChI=1S/C11H18N2O/c1-7(2)10-12-11(14)9(5)6-13(10)8(3)4/h6-8H,1-5H3
InChIKeyPJIQGZYCJOEHRG-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.26
Rot. Bonds2

About 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one

5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one (PubChem CID 140905805) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one
PubChem CID140905805
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one
SMILESCc1cn(C(C)C)c(C(C)C)nc1=O
InChIInChI=1S/C11H18N2O/c1-7(2)10-12-11(14)9(5)6-13(10)8(3)4/h6-8H,1-5H3
InChIKeyPJIQGZYCJOEHRG-UHFFFAOYSA-N
XLogP2.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one
CID 5319799
3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 20438531
2,3-Di(propan-2-yl)pyrimidin-4-one
CID 23401236
3-Tert-butyl-2,5-dimethylpyrimidin-4-one
CID 54212695
2,3,5-Trimethylpyrimidin-4-one
CID 59134427
2,3-Dimethyl-5-[[methyl(propyl)amino]methyl]pyrimidin-4-one
CID 59881373
5-Methyl-3-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 123408388
1,2-Di(propan-2-yl)pyrimidin-4-one
CID 140905800
1,5-Dimethyl-2-propan-2-ylpyrimidin-4-one
CID 156201866
2-Ethyl-1-propan-2-ylpyrimidin-4-one
CID 156201874
Methane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine
CID 159081849
5-Methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine
CID 159424485

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one?
The IUPAC name of 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one (CID 140905805) is 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one?
The canonical SMILES for 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one is Cc1cn(C(C)C)c(C(C)C)nc1=O.
What is the InChIKey of 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one?
The InChIKey is PJIQGZYCJOEHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)10-12-11(14)9(5)6-13(10)8(3)4/h6-8H,1-5H3.
What are the key properties of 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one?
5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one has a molecular weight of 194.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 140905805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).