9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine

C12H10F2N6 — CID 54053692

IUPAC9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine
SMILESNc1nc(N)c2ncn(Cc3c(F)cccc3F)c2n1
InChIInChI=1S/C12H10F2N6/c13-7-2-1-3-8(14)6(7)4-20-5-17-9-10(15)18-12(16)19-11(9)20/h1-3,5H,4H2,(H4,15,16,18,19)
InChIKeyLUSHWASUEQEOTG-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.32
Rot. Bonds2

About 9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine

9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine (PubChem CID 54053692) has the molecular formula C12H10F2N6 and a molecular weight of 276.25 g/mol. Its IUPAC name is 9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine.

Molecular Properties

Compound Name9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine
PubChem CID54053692
Molecular FormulaC12H10F2N6
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine
SMILESNc1nc(N)c2ncn(Cc3c(F)cccc3F)c2n1
InChIInChI=1S/C12H10F2N6/c13-7-2-1-3-8(14)6(7)4-20-5-17-9-10(15)18-12(16)19-11(9)20/h1-3,5H,4H2,(H4,15,16,18,19)
InChIKeyLUSHWASUEQEOTG-UHFFFAOYSA-N
XLogP1.32
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine?
The IUPAC name of 9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine (CID 54053692) is 9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine.
What is the SMILES notation for 9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine?
The canonical SMILES for 9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine is Nc1nc(N)c2ncn(Cc3c(F)cccc3F)c2n1.
What is the InChIKey of 9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine?
The InChIKey is LUSHWASUEQEOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N6/c13-7-2-1-3-8(14)6(7)4-20-5-17-9-10(15)18-12(16)19-11(9)20/h1-3,5H,4H2,(H4,15,16,18,19).
What are the key properties of 9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine?
9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine has a molecular weight of 276.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine is sourced from PubChem (CID 54053692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).