2-fluoro-7H-purin-6-amine

C5H4FN5 — CID 12790

IUPAC2-fluoro-7H-purin-6-amine
SMILESNc1nc(F)nc2nc[nH]c12
InChIInChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
InChIKeyWKMPTBDYDNUJLF-UHFFFAOYSA-N
MW153.12 g/mol
LogP0.07
Rot. Bonds

About 2-fluoro-7H-purin-6-amine

2-fluoro-7H-purin-6-amine (PubChem CID 12790) has the molecular formula C5H4FN5 and a molecular weight of 153.12 g/mol. Its IUPAC name is 2-fluoro-7H-purin-6-amine.

Molecular Properties

Compound Name2-fluoro-7H-purin-6-amine
PubChem CID12790
Molecular FormulaC5H4FN5
Molecular Weight153.12 g/mol
Exact Mass153.05
IUPAC Name2-fluoro-7H-purin-6-amine
SMILESNc1nc(F)nc2nc[nH]c12
InChIInChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
InChIKeyWKMPTBDYDNUJLF-UHFFFAOYSA-N
XLogP0.07
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7H-purin-6-amine?
The IUPAC name of 2-fluoro-7H-purin-6-amine (CID 12790) is 2-fluoro-7H-purin-6-amine.
What is the SMILES notation for 2-fluoro-7H-purin-6-amine?
The canonical SMILES for 2-fluoro-7H-purin-6-amine is Nc1nc(F)nc2nc[nH]c12.
What is the InChIKey of 2-fluoro-7H-purin-6-amine?
The InChIKey is WKMPTBDYDNUJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11).
What are the key properties of 2-fluoro-7H-purin-6-amine?
2-fluoro-7H-purin-6-amine has a molecular weight of 153.12 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7H-purin-6-amine is sourced from PubChem (CID 12790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).