2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one

C9H14N2O2 — CID 116705564

IUPAC2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one
SMILESCCOC(C)(C)c1nccc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-4-13-9(2,3)8-10-6-5-7(12)11-8/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyCFRFNGZCBVVQCS-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.04
Rot. Bonds3

About 2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one

2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one (PubChem CID 116705564) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one
PubChem CID116705564
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one
SMILESCCOC(C)(C)c1nccc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-4-13-9(2,3)8-10-6-5-7(12)11-8/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyCFRFNGZCBVVQCS-UHFFFAOYSA-N
XLogP1.04
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-2-(1-Butyryloxy-ethyl)-3H-pyrimidin-4-one
CID 10910803
(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
1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate
CID 22328641
1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate
CID 22328645
1-(s)-(4-Hydroxy-pyrimidin-2-yl)-ethyl butyrate
CID 54317907
2-(Ethoxymethyl)pyrimidin-4-ol
CID 65667549
2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202604
2-morpholin-2-yl-1H-pyrimidin-6-one
CID 129982008
ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate
CID 139934753
2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one
CID 140930143

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one (CID 116705564) is 2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one is CCOC(C)(C)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is CFRFNGZCBVVQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-13-9(2,3)8-10-6-5-7(12)11-8/h5-6H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one?
2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 182.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).