8-fluoro-9-methyl-4,5-dihydropurin-6-amine

C6H8FN5 — CID 163886629

IUPAC8-fluoro-9-methyl-4,5-dihydropurin-6-amine
SMILESCN1C(F)=NC2C(N)=NC=NC21
InChIInChI=1S/C6H8FN5/c1-12-5-3(11-6(12)7)4(8)9-2-10-5/h2-3,5H,1H3,(H2,8,9,10)
InChIKeyPXWUAKCTSRECJN-UHFFFAOYSA-N
MW169.16 g/mol
LogP-0.65
Rot. Bonds

About 8-fluoro-9-methyl-4,5-dihydropurin-6-amine

8-fluoro-9-methyl-4,5-dihydropurin-6-amine (PubChem CID 163886629) has the molecular formula C6H8FN5 and a molecular weight of 169.16 g/mol. Its IUPAC name is 8-fluoro-9-methyl-4,5-dihydropurin-6-amine.

Molecular Properties

Compound Name8-fluoro-9-methyl-4,5-dihydropurin-6-amine
PubChem CID163886629
Molecular FormulaC6H8FN5
Molecular Weight169.16 g/mol
Exact Mass169.08
IUPAC Name8-fluoro-9-methyl-4,5-dihydropurin-6-amine
SMILESCN1C(F)=NC2C(N)=NC=NC21
InChIInChI=1S/C6H8FN5/c1-12-5-3(11-6(12)7)4(8)9-2-10-5/h2-3,5H,1H3,(H2,8,9,10)
InChIKeyPXWUAKCTSRECJN-UHFFFAOYSA-N
XLogP-0.65
TPSA66.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-9-methyl-4,5-dihydropurin-6-amine?
The IUPAC name of 8-fluoro-9-methyl-4,5-dihydropurin-6-amine (CID 163886629) is 8-fluoro-9-methyl-4,5-dihydropurin-6-amine.
What is the SMILES notation for 8-fluoro-9-methyl-4,5-dihydropurin-6-amine?
The canonical SMILES for 8-fluoro-9-methyl-4,5-dihydropurin-6-amine is CN1C(F)=NC2C(N)=NC=NC21.
What is the InChIKey of 8-fluoro-9-methyl-4,5-dihydropurin-6-amine?
The InChIKey is PXWUAKCTSRECJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN5/c1-12-5-3(11-6(12)7)4(8)9-2-10-5/h2-3,5H,1H3,(H2,8,9,10).
What are the key properties of 8-fluoro-9-methyl-4,5-dihydropurin-6-amine?
8-fluoro-9-methyl-4,5-dihydropurin-6-amine has a molecular weight of 169.16 g/mol, XLogP of -0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-9-methyl-4,5-dihydropurin-6-amine is sourced from PubChem (CID 163886629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).