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

C14H22N2O3 — CID 116745109

IUPAC2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)cc(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C14H22N2O3/c1-4-19-14(7-5-13(2,3)6-8-14)12-15-10(17)9-11(18)16-12/h9H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyFBVIHWOUXKOHNU-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.31
Rot. Bonds3

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

2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116745109) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116745109
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)cc(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C14H22N2O3/c1-4-19-14(7-5-13(2,3)6-8-14)12-15-10(17)9-11(18)16-12/h9H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyFBVIHWOUXKOHNU-UHFFFAOYSA-N
XLogP2.31
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethoxy-4,4-dimethylcyclohexyl)-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

2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963838
4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691518
2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559511
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559530
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 113559531
2-(1-ethoxy-4-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559532
4-hydroxy-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559533
2-(1-ethoxycyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113559537
2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744917
2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744925
2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 116744932
4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116745095

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one (CID 116745109) is 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one is CCOC1(c2nc(O)cc(=O)[nH]2)CCC(C)(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is FBVIHWOUXKOHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-19-14(7-5-13(2,3)6-8-14)12-15-10(17)9-11(18)16-12/h9H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116745109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).