2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one

C10H16N2O3 — CID 116745098

IUPAC2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(C)(CC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-4-10(3,15-5-2)9-11-7(13)6-8(14)12-9/h6H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyVAMBGFPBYUWJSQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.14
Rot. Bonds4

About 2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one

2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116745098) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116745098
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(C)(CC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-4-10(3,15-5-2)9-11-7(13)6-8(14)12-9/h6H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyVAMBGFPBYUWJSQ-UHFFFAOYSA-N
XLogP1.14
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Ethoxymethyl)-6-hydroxy-3,4-dihydropyrimidin-4-one
CID 65668006
4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63613772
2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 64540875
4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79203139
4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79616994
4-hydroxy-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166106
4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691518
2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113554611
2-(2-ethoxybutan-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 113559544
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705664
4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705665
2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116705666

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 116745098) is 2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one is CCOC(C)(CC)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is VAMBGFPBYUWJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-10(3,15-5-2)9-11-7(13)6-8(14)12-9/h6H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116745098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).