2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine

C12H10FN5 — CID 137123533

IUPAC2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine
SMILES[H]/N=c1/c2[nH]cnc2nc(-c2ccccc2F)n1C
InChIInChI=1S/C12H10FN5/c1-18-10(14)9-11(16-6-15-9)17-12(18)7-4-2-3-5-8(7)13/h2-6,14H,1H3,(H,15,16)/b14-10-
InChIKeyYFDIRWFIEWLHCR-UVTDQMKNSA-N
MW243.25 g/mol
LogP1.58
Rot. Bonds1

About 2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine

2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine (PubChem CID 137123533) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine
PubChem CID137123533
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC Name2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine
SMILES[H]/N=c1/c2[nH]cnc2nc(-c2ccccc2F)n1C
InChIInChI=1S/C12H10FN5/c1-18-10(14)9-11(16-6-15-9)17-12(18)7-4-2-3-5-8(7)13/h2-6,14H,1H3,(H,15,16)/b14-10-
InChIKeyYFDIRWFIEWLHCR-UVTDQMKNSA-N
XLogP1.58
TPSA70.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine?
The IUPAC name of 2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine (CID 137123533) is 2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine.
What is the SMILES notation for 2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine?
The canonical SMILES for 2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine is [H]/N=c1/c2[nH]cnc2nc(-c2ccccc2F)n1C.
What is the InChIKey of 2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine?
The InChIKey is YFDIRWFIEWLHCR-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H10FN5/c1-18-10(14)9-11(16-6-15-9)17-12(18)7-4-2-3-5-8(7)13/h2-6,14H,1H3,(H,15,16)/b14-10-.
What are the key properties of 2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine?
2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine has a molecular weight of 243.25 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-methyl-7H-purin-6-imine is sourced from PubChem (CID 137123533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).