5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one

C11H18N2O2 — CID 67473378

IUPAC5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one
SMILESCOCc1cn(CC(C)C)c(C)nc1=O
InChIInChI=1S/C11H18N2O2/c1-8(2)5-13-6-10(7-15-4)11(14)12-9(13)3/h6,8H,5,7H2,1-4H3
InChIKeyWCBNKILBGSDCDC-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.35
Rot. Bonds4

About 5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one

5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one (PubChem CID 67473378) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one
PubChem CID67473378
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one
SMILESCOCc1cn(CC(C)C)c(C)nc1=O
InChIInChI=1S/C11H18N2O2/c1-8(2)5-13-6-10(7-15-4)11(14)12-9(13)3/h6,8H,5,7H2,1-4H3
InChIKeyWCBNKILBGSDCDC-UHFFFAOYSA-N
XLogP1.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one?
The IUPAC name of 5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one (CID 67473378) is 5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one.
What is the SMILES notation for 5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one?
The canonical SMILES for 5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one is COCc1cn(CC(C)C)c(C)nc1=O.
What is the InChIKey of 5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one?
The InChIKey is WCBNKILBGSDCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)5-13-6-10(7-15-4)11(14)12-9(13)3/h6,8H,5,7H2,1-4H3.
What are the key properties of 5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one?
5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one has a molecular weight of 210.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-methyl-1-(2-methylpropyl)pyrimidin-4-one is sourced from PubChem (CID 67473378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).