6-amino-2-fluoro-7,9-dihydropurin-8-one

C5H4FN5O — CID 146517040

IUPAC6-amino-2-fluoro-7,9-dihydropurin-8-one
SMILESNc1nc(F)nc2[nH]c(=O)[nH]c12
InChIInChI=1S/C5H4FN5O/c6-4-9-2(7)1-3(10-4)11-5(12)8-1/h(H4,7,8,9,10,11,12)
InChIKeyJJWVRSRNGXAFIR-UHFFFAOYSA-N
MW169.12 g/mol
LogP-0.63
Rot. Bonds

About 6-amino-2-fluoro-7,9-dihydropurin-8-one

6-amino-2-fluoro-7,9-dihydropurin-8-one (PubChem CID 146517040) has the molecular formula C5H4FN5O and a molecular weight of 169.12 g/mol. Its IUPAC name is 6-amino-2-fluoro-7,9-dihydropurin-8-one.

Molecular Properties

Compound Name6-amino-2-fluoro-7,9-dihydropurin-8-one
PubChem CID146517040
Molecular FormulaC5H4FN5O
Molecular Weight169.12 g/mol
Exact Mass169.04
IUPAC Name6-amino-2-fluoro-7,9-dihydropurin-8-one
SMILESNc1nc(F)nc2[nH]c(=O)[nH]c12
InChIInChI=1S/C5H4FN5O/c6-4-9-2(7)1-3(10-4)11-5(12)8-1/h(H4,7,8,9,10,11,12)
InChIKeyJJWVRSRNGXAFIR-UHFFFAOYSA-N
XLogP-0.63
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.12
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-fluoro-7,9-dihydropurin-8-one?
The IUPAC name of 6-amino-2-fluoro-7,9-dihydropurin-8-one (CID 146517040) is 6-amino-2-fluoro-7,9-dihydropurin-8-one.
What is the SMILES notation for 6-amino-2-fluoro-7,9-dihydropurin-8-one?
The canonical SMILES for 6-amino-2-fluoro-7,9-dihydropurin-8-one is Nc1nc(F)nc2[nH]c(=O)[nH]c12.
What is the InChIKey of 6-amino-2-fluoro-7,9-dihydropurin-8-one?
The InChIKey is JJWVRSRNGXAFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN5O/c6-4-9-2(7)1-3(10-4)11-5(12)8-1/h(H4,7,8,9,10,11,12).
What are the key properties of 6-amino-2-fluoro-7,9-dihydropurin-8-one?
6-amino-2-fluoro-7,9-dihydropurin-8-one has a molecular weight of 169.12 g/mol, XLogP of -0.63, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-fluoro-7,9-dihydropurin-8-one is sourced from PubChem (CID 146517040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).