3-methyl-5-(2-methylpropoxy)pyrimidin-4-one

C9H14N2O2 — CID 166057366

IUPAC3-methyl-5-(2-methylpropoxy)pyrimidin-4-one
SMILESCC(C)COc1cncn(C)c1=O
InChIInChI=1S/C9H14N2O2/c1-7(2)5-13-8-4-10-6-11(3)9(8)12/h4,6-7H,5H2,1-3H3
InChIKeyOUEMCPZMYOVEOA-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.82
Rot. Bonds3

About 3-methyl-5-(2-methylpropoxy)pyrimidin-4-one

3-methyl-5-(2-methylpropoxy)pyrimidin-4-one (PubChem CID 166057366) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-methyl-5-(2-methylpropoxy)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-(2-methylpropoxy)pyrimidin-4-one
PubChem CID166057366
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-methyl-5-(2-methylpropoxy)pyrimidin-4-one
SMILESCC(C)COc1cncn(C)c1=O
InChIInChI=1S/C9H14N2O2/c1-7(2)5-13-8-4-10-6-11(3)9(8)12/h4,6-7H,5H2,1-3H3
InChIKeyOUEMCPZMYOVEOA-UHFFFAOYSA-N
XLogP0.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylpropoxy)pyrimidin-4-one?
The IUPAC name of 3-methyl-5-(2-methylpropoxy)pyrimidin-4-one (CID 166057366) is 3-methyl-5-(2-methylpropoxy)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-(2-methylpropoxy)pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-(2-methylpropoxy)pyrimidin-4-one is CC(C)COc1cncn(C)c1=O.
What is the InChIKey of 3-methyl-5-(2-methylpropoxy)pyrimidin-4-one?
The InChIKey is OUEMCPZMYOVEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(2)5-13-8-4-10-6-11(3)9(8)12/h4,6-7H,5H2,1-3H3.
What are the key properties of 3-methyl-5-(2-methylpropoxy)pyrimidin-4-one?
3-methyl-5-(2-methylpropoxy)pyrimidin-4-one has a molecular weight of 182.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylpropoxy)pyrimidin-4-one is sourced from PubChem (CID 166057366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).