2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one

C18H20FN3O — CID 25124139

IUPAC2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one
SMILESCNc1nc(C2CC3CC3C2)n(-c2ccc(F)cc2)c(=O)c1C
InChIInChI=1S/C18H20FN3O/c1-10-16(20-2)21-17(13-8-11-7-12(11)9-13)22(18(10)23)15-5-3-14(19)4-6-15/h3-6,11-13,20H,7-9H2,1-2H3
InChIKeyBVQFLLAZONKZPT-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.24
Rot. Bonds3

About 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one

2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one (PubChem CID 25124139) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one
PubChem CID25124139
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one
SMILESCNc1nc(C2CC3CC3C2)n(-c2ccc(F)cc2)c(=O)c1C
InChIInChI=1S/C18H20FN3O/c1-10-16(20-2)21-17(13-8-11-7-12(11)9-13)22(18(10)23)15-5-3-14(19)4-6-15/h3-6,11-13,20H,7-9H2,1-2H3
InChIKeyBVQFLLAZONKZPT-UHFFFAOYSA-N
XLogP3.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one?
The IUPAC name of 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one (CID 25124139) is 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one.
What is the SMILES notation for 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one?
The canonical SMILES for 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one is CNc1nc(C2CC3CC3C2)n(-c2ccc(F)cc2)c(=O)c1C.
What is the InChIKey of 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one?
The InChIKey is BVQFLLAZONKZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-10-16(20-2)21-17(13-8-11-7-12(11)9-13)22(18(10)23)15-5-3-14(19)4-6-15/h3-6,11-13,20H,7-9H2,1-2H3.
What are the key properties of 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one?
2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one has a molecular weight of 313.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bicyclo[3.1.0]hexanyl)-3-(4-fluorophenyl)-5-methyl-6-(methylamino)pyrimidin-4-one is sourced from PubChem (CID 25124139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).