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

C10H16N2O2 — CID 116744919

IUPAC2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one
SMILESCCOC(C)(CC)c1nccc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-4-10(3,14-5-2)9-11-7-6-8(13)12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyKKJSOFXUIQKZOW-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.43
Rot. Bonds4

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

2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one (PubChem CID 116744919) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one
PubChem CID116744919
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one
SMILESCCOC(C)(CC)c1nccc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-4-10(3,14-5-2)9-11-7-6-8(13)12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyKKJSOFXUIQKZOW-UHFFFAOYSA-N
XLogP1.43
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-2-(1-Acetoxy-ethyl)-3H-pyrimidin-4-one
CID 11105982
2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 20689207
1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate
CID 22328641
2-(Ethoxymethyl)pyrimidin-4-ol
CID 65667549
2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202604
ethenyl acetate;[(1R)-1-(6-oxo-1H-pyrimidin-2-yl)ethyl] acetate
CID 139934753
2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one
CID 140930143
2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 165398156
2-(1-ethoxy-2-hydroxypropan-2-yl)-1H-pyrimidin-6-one
CID 165398496
2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one
CID 10855682
2-(2-methoxy-1-sulfanylpropan-2-yl)-1H-pyrimidin-6-one
CID 14317824
2-(propoxymethyl)-1H-pyrimidin-6-one
CID 61812646

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one (CID 116744919) is 2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one is CCOC(C)(CC)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is KKJSOFXUIQKZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-10(3,14-5-2)9-11-7-6-8(13)12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one?
2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116744919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).