2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one

C9H14N2O3 — CID 165398496

IUPAC2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one
SMILESCCOCC(C)(O)c1nccc(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-3-14-6-9(2,13)8-10-5-4-7(12)11-8/h4-5,13H,3,6H2,1-2H3,(H,10,11,12)
InChIKeyKPDZGUIDYHRMMI-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.01
Rot. Bonds4

About 2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one

2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one (PubChem CID 165398496) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one
PubChem CID165398496
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one
SMILESCCOCC(C)(O)c1nccc(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-3-14-6-9(2,13)8-10-5-4-7(12)11-8/h4-5,13H,3,6H2,1-2H3,(H,10,11,12)
InChIKeyKPDZGUIDYHRMMI-UHFFFAOYSA-N
XLogP0.01
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202604
2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 165398156
2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 64540254
2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one
CID 65350833
2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927147
2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one
CID 116705564
2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 116744918
2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one
CID 116744919
2-(2-propan-2-yloxypropan-2-yl)-1H-pyrimidin-6-one
CID 133621331
2-(2-Hydroxypropan-2-yl)pyrimidin-4-ol
CID 165521205

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one (CID 165398496) is 2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one is CCOCC(C)(O)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is KPDZGUIDYHRMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-14-6-9(2,13)8-10-5-4-7(12)11-8/h4-5,13H,3,6H2,1-2H3,(H,10,11,12).
What are the key properties of 2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one?
2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 165398496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).