2-fluoro-6-methylpurin-9-amine

C6H6FN5 — CID 118103546

IUPAC2-fluoro-6-methylpurin-9-amine
SMILESCc1nc(F)nc2c1ncn2N
InChIInChI=1S/C6H6FN5/c1-3-4-5(11-6(7)10-3)12(8)2-9-4/h2H,8H2,1H3
InChIKeyUDVVUINZIAUKRE-UHFFFAOYSA-N
MW167.15 g/mol
LogP-0.01
Rot. Bonds

About 2-fluoro-6-methylpurin-9-amine

2-fluoro-6-methylpurin-9-amine (PubChem CID 118103546) has the molecular formula C6H6FN5 and a molecular weight of 167.15 g/mol. Its IUPAC name is 2-fluoro-6-methylpurin-9-amine.

Molecular Properties

Compound Name2-fluoro-6-methylpurin-9-amine
PubChem CID118103546
Molecular FormulaC6H6FN5
Molecular Weight167.15 g/mol
Exact Mass167.06
IUPAC Name2-fluoro-6-methylpurin-9-amine
SMILESCc1nc(F)nc2c1ncn2N
InChIInChI=1S/C6H6FN5/c1-3-4-5(11-6(7)10-3)12(8)2-9-4/h2H,8H2,1H3
InChIKeyUDVVUINZIAUKRE-UHFFFAOYSA-N
XLogP-0.01
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-6-methylpurin-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methylpurin-9-amine?
The IUPAC name of 2-fluoro-6-methylpurin-9-amine (CID 118103546) is 2-fluoro-6-methylpurin-9-amine.
What is the SMILES notation for 2-fluoro-6-methylpurin-9-amine?
The canonical SMILES for 2-fluoro-6-methylpurin-9-amine is Cc1nc(F)nc2c1ncn2N.
What is the InChIKey of 2-fluoro-6-methylpurin-9-amine?
The InChIKey is UDVVUINZIAUKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN5/c1-3-4-5(11-6(7)10-3)12(8)2-9-4/h2H,8H2,1H3.
What are the key properties of 2-fluoro-6-methylpurin-9-amine?
2-fluoro-6-methylpurin-9-amine has a molecular weight of 167.15 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methylpurin-9-amine is sourced from PubChem (CID 118103546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).