2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one

C8H12N2O2 — CID 140930143

IUPAC2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one
SMILESCC(C)OCc1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-6(2)12-5-7-9-4-3-8(11)10-7/h3-4,6H,5H2,1-2H3,(H,9,10,11)
InChIKeyGLRNGIYTVZENDW-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.69
Rot. Bonds3

About 2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one

2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one (PubChem CID 140930143) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one
PubChem CID140930143
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one
SMILESCC(C)OCc1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-6(2)12-5-7-9-4-3-8(11)10-7/h3-4,6H,5H2,1-2H3,(H,9,10,11)
InChIKeyGLRNGIYTVZENDW-UHFFFAOYSA-N
XLogP0.69
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473450
2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473451
5-Ethoxy-2-methylpyrimidin-4(3h)-one
CID 535917
(R)-2-(1-Butyryloxy-ethyl)-3H-pyrimidin-4-one
CID 10910803
2-(1-hydroxyethyl)pyrimidin-4(3H)-one
CID 11018949
(R)-2-(1-Acetoxy-ethyl)-3H-pyrimidin-4-one
CID 11105982
2-(Methoxymethyl)pyrimidin-4(1H)-one
CID 14306129
2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 20689207
5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 22166922
2-(1-hydroxyethyl)-1H-pyrimidin-6-one;hydrochloride
CID 22328614
1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate
CID 22328641
1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate
CID 22328645

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one (CID 140930143) is 2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one is CC(C)OCc1nccc(=O)[nH]1.
What is the InChIKey of 2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one?
The InChIKey is GLRNGIYTVZENDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(2)12-5-7-9-4-3-8(11)10-7/h3-4,6H,5H2,1-2H3,(H,9,10,11).
What are the key properties of 2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one?
2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 140930143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).