8-(3-fluorophenyl)-9-methylpurin-6-amine

C12H10FN5 — CID 10633978

IUPAC8-(3-fluorophenyl)-9-methylpurin-6-amine
SMILESCn1c(-c2cccc(F)c2)nc2c(N)ncnc21
InChIInChI=1S/C12H10FN5/c1-18-11(7-3-2-4-8(13)5-7)17-9-10(14)15-6-16-12(9)18/h2-6H,1H3,(H2,14,15,16)
InChIKeyJXJYLIUAIVDUNX-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.75
Rot. Bonds1

About 8-(3-fluorophenyl)-9-methylpurin-6-amine

8-(3-fluorophenyl)-9-methylpurin-6-amine (PubChem CID 10633978) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is 8-(3-fluorophenyl)-9-methylpurin-6-amine.

Molecular Properties

Compound Name8-(3-fluorophenyl)-9-methylpurin-6-amine
PubChem CID10633978
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC Name8-(3-fluorophenyl)-9-methylpurin-6-amine
SMILESCn1c(-c2cccc(F)c2)nc2c(N)ncnc21
InChIInChI=1S/C12H10FN5/c1-18-11(7-3-2-4-8(13)5-7)17-9-10(14)15-6-16-12(9)18/h2-6H,1H3,(H2,14,15,16)
InChIKeyJXJYLIUAIVDUNX-UHFFFAOYSA-N
XLogP1.75
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)-9-methylpurin-6-amine?
The IUPAC name of 8-(3-fluorophenyl)-9-methylpurin-6-amine (CID 10633978) is 8-(3-fluorophenyl)-9-methylpurin-6-amine.
What is the SMILES notation for 8-(3-fluorophenyl)-9-methylpurin-6-amine?
The canonical SMILES for 8-(3-fluorophenyl)-9-methylpurin-6-amine is Cn1c(-c2cccc(F)c2)nc2c(N)ncnc21.
What is the InChIKey of 8-(3-fluorophenyl)-9-methylpurin-6-amine?
The InChIKey is JXJYLIUAIVDUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5/c1-18-11(7-3-2-4-8(13)5-7)17-9-10(14)15-6-16-12(9)18/h2-6H,1H3,(H2,14,15,16).
What are the key properties of 8-(3-fluorophenyl)-9-methylpurin-6-amine?
8-(3-fluorophenyl)-9-methylpurin-6-amine has a molecular weight of 243.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenyl)-9-methylpurin-6-amine is sourced from PubChem (CID 10633978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).