4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one

C13H20N2O3 — CID 103241726

IUPAC4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1CCCC(Oc2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C13H20N2O3/c1-3-9-5-4-6-10(7-9)18-13-11(17-2)12(16)14-8-15-13/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyBBBHHNDGSYFPIE-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.13
Rot. Bonds4

About 4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one

4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one (PubChem CID 103241726) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
PubChem CID103241726
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1CCCC(Oc2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C13H20N2O3/c1-3-9-5-4-6-10(7-9)18-13-11(17-2)12(16)14-8-15-13/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyBBBHHNDGSYFPIE-UHFFFAOYSA-N
XLogP2.13
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-(oxan-4-ylmethoxy)-1H-pyrimidin-6-one
CID 103241618
[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanol
CID 106768794
[1-(3-ethylcyclohexyl)oxyisoquinolin-4-yl]methanamine
CID 106777491
5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
CID 136975876
4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114586524
6-(3-ethylcyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine
CID 80876542
5-amino-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 19152719
4-[3-(ethylaminomethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 137007892
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137016441
5-methoxy-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796589
3,5-dichloro-6-(3-ethylcyclohexyl)oxypyridin-2-amine
CID 102761005

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one (CID 103241726) is 4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one is CCC1CCCC(Oc2nc[nH]c(=O)c2OC)C1.
What is the InChIKey of 4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is BBBHHNDGSYFPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-9-5-4-6-10(7-9)18-13-11(17-2)12(16)14-8-15-13/h8-10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one?
4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).