3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one

C9H14N2O2 — CID 55227861

IUPAC3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(C)O)c(C)n1
InChIInChI=1S/C9H14N2O2/c1-6-4-9(13)11(5-7(2)12)8(3)10-6/h4,7,12H,5H2,1-3H3
InChIKeyWFJNRKJTKCWVRB-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.24
Rot. Bonds2

About 3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one

3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 55227861) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one
PubChem CID55227861
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(C)O)c(C)n1
InChIInChI=1S/C9H14N2O2/c1-6-4-9(13)11(5-7(2)12)8(3)10-6/h4,7,12H,5H2,1-3H3
InChIKeyWFJNRKJTKCWVRB-UHFFFAOYSA-N
XLogP0.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one (CID 55227861) is 3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CC(C)O)c(C)n1.
What is the InChIKey of 3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is WFJNRKJTKCWVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-4-9(13)11(5-7(2)12)8(3)10-6/h4,7,12H,5H2,1-3H3.
What are the key properties of 3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one?
3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 182.22 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 55227861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).