2-fluoro-7H-purine-6,8-diamine

C5H5FN6 — CID 172846330

IUPAC2-fluoro-7H-purine-6,8-diamine
SMILESNc1nc2nc(F)nc(N)c2[nH]1
InChIInChI=1S/C5H5FN6/c6-4-10-2(7)1-3(11-4)12-5(8)9-1/h(H5,7,8,9,10,11,12)
InChIKeyXLXGUUGBPJSLGA-UHFFFAOYSA-N
MW168.14 g/mol
LogP-0.34
Rot. Bonds

About 2-fluoro-7H-purine-6,8-diamine

2-fluoro-7H-purine-6,8-diamine (PubChem CID 172846330) has the molecular formula C5H5FN6 and a molecular weight of 168.14 g/mol. Its IUPAC name is 2-fluoro-7H-purine-6,8-diamine.

Molecular Properties

Compound Name2-fluoro-7H-purine-6,8-diamine
PubChem CID172846330
Molecular FormulaC5H5FN6
Molecular Weight168.14 g/mol
Exact Mass168.06
IUPAC Name2-fluoro-7H-purine-6,8-diamine
SMILESNc1nc2nc(F)nc(N)c2[nH]1
InChIInChI=1S/C5H5FN6/c6-4-10-2(7)1-3(11-4)12-5(8)9-1/h(H5,7,8,9,10,11,12)
InChIKeyXLXGUUGBPJSLGA-UHFFFAOYSA-N
XLogP-0.34
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Adenine
CID 190
2,6-Diaminopurine
CID 30976
6-Hydroxyaminopurine
CID 21876
6-Dimethylaminopurine
CID 3134
2-Fluoroadenine
CID 12790
N6-Methyladenine
CID 67955
Adenine hydrochloride
CID 76219
N6-Hydroxy-9H-purine-2,6-diamine
CID 101513
6-Chloro-2-fluoropurine
CID 5287914
2-Methyladenine
CID 15048
8-Bromo-9H-purin-6-amine
CID 81457
2-Chloroadenine
CID 94904

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7H-purine-6,8-diamine?
The IUPAC name of 2-fluoro-7H-purine-6,8-diamine (CID 172846330) is 2-fluoro-7H-purine-6,8-diamine.
What is the SMILES notation for 2-fluoro-7H-purine-6,8-diamine?
The canonical SMILES for 2-fluoro-7H-purine-6,8-diamine is Nc1nc2nc(F)nc(N)c2[nH]1.
What is the InChIKey of 2-fluoro-7H-purine-6,8-diamine?
The InChIKey is XLXGUUGBPJSLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN6/c6-4-10-2(7)1-3(11-4)12-5(8)9-1/h(H5,7,8,9,10,11,12).
What are the key properties of 2-fluoro-7H-purine-6,8-diamine?
2-fluoro-7H-purine-6,8-diamine has a molecular weight of 168.14 g/mol, XLogP of -0.34, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7H-purine-6,8-diamine is sourced from PubChem (CID 172846330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).