4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one

C11H18N2O — CID 170133964

IUPAC4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one
SMILESCCCC(C)(C)n1ccc(C)nc1=O
InChIInChI=1S/C11H18N2O/c1-5-7-11(3,4)13-8-6-9(2)12-10(13)14/h6,8H,5,7H2,1-4H3
InChIKeyHQDOEQWTRJUEPP-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.09
Rot. Bonds3

About 4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one

4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one (PubChem CID 170133964) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one
PubChem CID170133964
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one
SMILESCCCC(C)(C)n1ccc(C)nc1=O
InChIInChI=1S/C11H18N2O/c1-5-7-11(3,4)13-8-6-9(2)12-10(13)14/h6,8H,5,7H2,1-4H3
InChIKeyHQDOEQWTRJUEPP-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one?
The IUPAC name of 4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one (CID 170133964) is 4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one is CCCC(C)(C)n1ccc(C)nc1=O.
What is the InChIKey of 4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one?
The InChIKey is HQDOEQWTRJUEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-7-11(3,4)13-8-6-9(2)12-10(13)14/h6,8H,5,7H2,1-4H3.
What are the key properties of 4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one?
4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one has a molecular weight of 194.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpentan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 170133964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).