1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one

C14H22N2O3 — CID 176574981

IUPAC1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one
SMILESO=c1nc(OCCO)ccn1C1CCCCCCC1
InChIInChI=1S/C14H22N2O3/c17-10-11-19-13-8-9-16(14(18)15-13)12-6-4-2-1-3-5-7-12/h8-9,12,17H,1-7,10-11H2
InChIKeyOEPLIVFPNBYYEB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.90
Rot. Bonds4

About 1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one

1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one (PubChem CID 176574981) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one.

Molecular Properties

Compound Name1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one
PubChem CID176574981
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one
SMILESO=c1nc(OCCO)ccn1C1CCCCCCC1
InChIInChI=1S/C14H22N2O3/c17-10-11-19-13-8-9-16(14(18)15-13)12-6-4-2-1-3-5-7-12/h8-9,12,17H,1-7,10-11H2
InChIKeyOEPLIVFPNBYYEB-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclooctyl-4-(2-methoxyethoxy)pyrimidin-2-one
CID 176575098
[(E)-4-(1-cycloheptyl-2-oxopyrimidin-4-yl)oxybut-2-enyl] hypoiodite
CID 176574891
4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane
CID 167445812
1-cyclooctyl-4-(4-methoxybut-2-ynoxy)-5-methylpyrimidin-2-one
CID 176553524
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(4-butoxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 10928045
4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane
CID 143702965
1-cyclohexyl-3-[2-hydroxyethyl(methyl)amino]-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576852
1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one
CID 45213710
4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
CID 142192955
4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 166811766
1-cycloheptylimidazole-2-carboxylic acid
CID 130609991
1-[(1S,2R,4R,5S)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-4-methoxypyrimidin-2-one
CID 21145533

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one?
The IUPAC name of 1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one (CID 176574981) is 1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one.
What is the SMILES notation for 1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one?
The canonical SMILES for 1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one is O=c1nc(OCCO)ccn1C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one?
The InChIKey is OEPLIVFPNBYYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-10-11-19-13-8-9-16(14(18)15-13)12-6-4-2-1-3-5-7-12/h8-9,12,17H,1-7,10-11H2.
What are the key properties of 1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one?
1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one has a molecular weight of 266.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one is sourced from PubChem (CID 176574981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).