2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one

C11H18N2O3 — CID 116705666

IUPAC2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)cc(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C11H18N2O3/c1-5-16-9(11(2,3)4)10-12-7(14)6-8(15)13-10/h6,9H,5H2,1-4H3,(H2,12,13,14,15)
InChIKeyQOKLKCKTDXBPAO-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.60
Rot. Bonds3

About 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one

2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116705666) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116705666
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)cc(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C11H18N2O3/c1-5-16-9(11(2,3)4)10-12-7(14)6-8(15)13-10/h6,9H,5H2,1-4H3,(H2,12,13,14,15)
InChIKeyQOKLKCKTDXBPAO-UHFFFAOYSA-N
XLogP1.60
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-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

4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63613772
2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 64540875
2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64540876
2-(1-ethoxyethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 64540877
2-(1-ethoxyethyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 64541089
4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79203139
4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79616994
2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113554611
2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 116705563
2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one
CID 116705565
2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 116705571
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705664

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one (CID 116705666) is 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one is CCOC(c1nc(O)cc(=O)[nH]1)C(C)(C)C.
What is the InChIKey of 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is QOKLKCKTDXBPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-16-9(11(2,3)4)10-12-7(14)6-8(15)13-10/h6,9H,5H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116705666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).