2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one

C17H17FN2O — CID 25124135

IUPAC2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccc(F)cc2)c(C2CC3CC3C2)n1
InChIInChI=1S/C17H17FN2O/c1-10-6-16(21)20(15-4-2-14(18)3-5-15)17(19-10)13-8-11-7-12(11)9-13/h2-6,11-13H,7-9H2,1H3
InChIKeyOBUMYCXGJRJLJT-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.19
Rot. Bonds2

About 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one

2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one (PubChem CID 25124135) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one
PubChem CID25124135
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccc(F)cc2)c(C2CC3CC3C2)n1
InChIInChI=1S/C17H17FN2O/c1-10-6-16(21)20(15-4-2-14(18)3-5-15)17(19-10)13-8-11-7-12(11)9-13/h2-6,11-13H,7-9H2,1H3
InChIKeyOBUMYCXGJRJLJT-UHFFFAOYSA-N
XLogP3.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one?
The IUPAC name of 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one (CID 25124135) is 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one is Cc1cc(=O)n(-c2ccc(F)cc2)c(C2CC3CC3C2)n1.
What is the InChIKey of 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one?
The InChIKey is OBUMYCXGJRJLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-10-6-16(21)20(15-4-2-14(18)3-5-15)17(19-10)13-8-11-7-12(11)9-13/h2-6,11-13H,7-9H2,1H3.
What are the key properties of 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one?
2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one has a molecular weight of 284.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 25124135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).