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

C15H24N2O3 — CID 176575098

IUPAC1-cyclooctyl-4-(2-methoxyethoxy)pyrimidin-2-one
SMILESCOCCOc1ccn(C2CCCCCCC2)c(=O)n1
InChIInChI=1S/C15H24N2O3/c1-19-11-12-20-14-9-10-17(15(18)16-14)13-7-5-3-2-4-6-8-13/h9-10,13H,2-8,11-12H2,1H3
InChIKeyDABZMXIDVYGROI-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.55
Rot. Bonds5

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

1-cyclooctyl-4-(2-methoxyethoxy)pyrimidin-2-one (PubChem CID 176575098) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-cyclooctyl-4-(2-methoxyethoxy)pyrimidin-2-one.

Molecular Properties

Compound Name1-cyclooctyl-4-(2-methoxyethoxy)pyrimidin-2-one
PubChem CID176575098
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-cyclooctyl-4-(2-methoxyethoxy)pyrimidin-2-one
SMILESCOCCOc1ccn(C2CCCCCCC2)c(=O)n1
InChIInChI=1S/C15H24N2O3/c1-19-11-12-20-14-9-10-17(15(18)16-14)13-7-5-3-2-4-6-8-13/h9-10,13H,2-8,11-12H2,1H3
InChIKeyDABZMXIDVYGROI-UHFFFAOYSA-N
XLogP2.55
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclooctyl-4-(2-hydroxyethoxy)pyrimidin-2-one
CID 176574981
[(E)-4-(1-cycloheptyl-2-oxopyrimidin-4-yl)oxybut-2-enyl] hypoiodite
CID 176574891
1-cyclooctyl-4-(4-methoxybut-2-ynoxy)-5-methylpyrimidin-2-one
CID 176553524
2-tert-butyl-N-cyclohexyl-6-(2-methoxyethoxy)pyrimidin-4-amine
CID 82456937
1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid
CID 69197750
4-amino-1-cyclopentyl-5-fluoropyrimidin-2-one;ethane
CID 143702965
2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid
CID 64783644
1-cyclohexyl-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106554635
7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine
CID 154947058
N-(1-cyclohexylethyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 43782133
methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
CID 66498695
1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole
CID 167810339

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-4-(2-methoxyethoxy)pyrimidin-2-one?
The IUPAC name of 1-cyclooctyl-4-(2-methoxyethoxy)pyrimidin-2-one (CID 176575098) is 1-cyclooctyl-4-(2-methoxyethoxy)pyrimidin-2-one.
What is the SMILES notation for 1-cyclooctyl-4-(2-methoxyethoxy)pyrimidin-2-one?
The canonical SMILES for 1-cyclooctyl-4-(2-methoxyethoxy)pyrimidin-2-one is COCCOc1ccn(C2CCCCCCC2)c(=O)n1.
What is the InChIKey of 1-cyclooctyl-4-(2-methoxyethoxy)pyrimidin-2-one?
The InChIKey is DABZMXIDVYGROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-19-11-12-20-14-9-10-17(15(18)16-14)13-7-5-3-2-4-6-8-13/h9-10,13H,2-8,11-12H2,1H3.
What are the key properties of 1-cyclooctyl-4-(2-methoxyethoxy)pyrimidin-2-one?
1-cyclooctyl-4-(2-methoxyethoxy)pyrimidin-2-one has a molecular weight of 280.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-4-(2-methoxyethoxy)pyrimidin-2-one is sourced from PubChem (CID 176575098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).