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

C9H14N2O3 — CID 116705669

IUPAC4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
SMILESCCCC(OC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-3-4-6(14-2)9-10-7(12)5-8(13)11-9/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyWJJFPIICMLJNTG-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.96
Rot. Bonds4

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

4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one (PubChem CID 116705669) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
PubChem CID116705669
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
SMILESCCCC(OC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-3-4-6(14-2)9-10-7(12)5-8(13)11-9/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyWJJFPIICMLJNTG-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Butyl-6-hydroxypyrimidin-4(1H)-one
CID 12280643
2-(Methoxymethyl)pyrimidine-4,6-diol
CID 53438120
2-(Ethoxymethyl)-6-hydroxy-3,4-dihydropyrimidin-4-one
CID 65668006
2-(1-hydroxybutyl)-4-methyl-1H-pyrimidin-6-one
CID 136199987
4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63613772
2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 64540875
4-hydroxy-2-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 65094965
4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331574
6-Hydroxy-2-(methoxymethyl)-3,4-dihydropyrimidin-4-one hydrochloride
CID 75419990
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-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one
CID 79617113

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one (CID 116705669) is 4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one is CCCC(OC)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
The InChIKey is WJJFPIICMLJNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-4-6(14-2)9-10-7(12)5-8(13)11-9/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).