2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one

C17H18N2O2 — CID 115926289

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2Cc3ccccc32)nc(O)c1C1CCCC1
InChIInChI=1S/C17H18N2O2/c20-16-14(10-5-1-2-6-10)17(21)19-15(18-16)13-9-11-7-3-4-8-12(11)13/h3-4,7-8,10,13H,1-2,5-6,9H2,(H2,18,19,20,21)
InChIKeyNAPPXVOGGPHVAU-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.82
Rot. Bonds2

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 115926289) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID115926289
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2Cc3ccccc32)nc(O)c1C1CCCC1
InChIInChI=1S/C17H18N2O2/c20-16-14(10-5-1-2-6-10)17(21)19-15(18-16)13-9-11-7-3-4-8-12(11)13/h3-4,7-8,10,13H,1-2,5-6,9H2,(H2,18,19,20,21)
InChIKeyNAPPXVOGGPHVAU-UHFFFAOYSA-N
XLogP2.82
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65407148
5-bromo-2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286968
2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 65429882
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136992302
5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 112569358
5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 115926310
5-cyclopentyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 103344653
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine
CID 66394584
5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 112569360
5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 112569328
2-cyclopentyl-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439270
5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one
CID 112569377

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one (CID 115926289) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(C2Cc3ccccc32)nc(O)c1C1CCCC1.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is NAPPXVOGGPHVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-16-14(10-5-1-2-6-10)17(21)19-15(18-16)13-9-11-7-3-4-8-12(11)13/h3-4,7-8,10,13H,1-2,5-6,9H2,(H2,18,19,20,21).
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 282.34 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 115926289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).