2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one

C10H16N2O3 — CID 116705671

IUPAC2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCC(OCC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-3-5-7(15-4-2)10-11-8(13)6-9(14)12-10/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyIOIVREBHXLSRKC-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.35
Rot. Bonds5

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

2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116705671) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116705671
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCC(OCC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-3-5-7(15-4-2)10-11-8(13)6-9(14)12-10/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyIOIVREBHXLSRKC-UHFFFAOYSA-N
XLogP1.35
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.35
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-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331574
4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79616994
4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82838313
4-hydroxy-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104249124
2-(1-ethoxybutyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113554613
2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705566
2-(1-ethoxybutyl)-1H-pyrimidin-6-one
CID 116705568
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705664
4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705665

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one (CID 116705671) is 2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one is CCCC(OCC)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is IOIVREBHXLSRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-5-7(15-4-2)10-11-8(13)6-9(14)12-10/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116705671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).