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

C9H14N2O3 — CID 116745097

IUPAC4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
SMILESCCC(C)(OC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-4-9(2,14-3)8-10-6(12)5-7(13)11-8/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyZCRIPWZSRUWBRH-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.75
Rot. Bonds3

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

4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one (PubChem CID 116745097) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
PubChem CID116745097
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
SMILESCCC(C)(OC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c1-4-9(2,14-3)8-10-6(12)5-7(13)11-8/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyZCRIPWZSRUWBRH-UHFFFAOYSA-N
XLogP0.75
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202604
4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63613772
2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 64540875
4-hydroxy-5-iodo-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79201860
4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79203139
4-hydroxy-2-(2-methoxypropan-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 79203140
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-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913
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 4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one (CID 116745097) is 4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one is CCC(C)(OC)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is ZCRIPWZSRUWBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-9(2,14-3)8-10-6(12)5-7(13)11-8/h5H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116745097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).