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

C11H16N2O3 — CID 116745096

IUPAC4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C11H16N2O3/c1-16-11(5-3-2-4-6-11)10-12-8(14)7-9(15)13-10/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyJELDGJAKCKFADP-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.28
Rot. Bonds2

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

4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one (PubChem CID 116745096) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
PubChem CID116745096
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C11H16N2O3/c1-16-11(5-3-2-4-6-11)10-12-8(14)7-9(15)13-10/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyJELDGJAKCKFADP-UHFFFAOYSA-N
XLogP1.28
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-(1-methoxycyclohexyl)-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-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691518
4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913
4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one
CID 104609914
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
4-hydroxy-2-(1-methoxycyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559535
2-(1-ethoxycyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113559537
4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559538
5-ethyl-4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 113559540
5-bromo-2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559551

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one (CID 116745096) is 4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one is COC1(c2nc(O)cc(=O)[nH]2)CCCCC1.
What is the InChIKey of 4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is JELDGJAKCKFADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-16-11(5-3-2-4-6-11)10-12-8(14)7-9(15)13-10/h7H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116745096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).