2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine

C11H8FN9 — CID 90985980

IUPAC2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine
SMILESCc1ncnc2c1ncn2-n1cnc2c(N)nc(F)nc21
InChIInChI=1S/C11H8FN9/c1-5-6-9(15-2-14-5)20(3-16-6)21-4-17-7-8(13)18-11(12)19-10(7)21/h2-4H,1H3,(H2,13,18,19)
InChIKeyXCRJCLPNOYHUSG-UHFFFAOYSA-N
MW285.25 g/mol
LogP0.31
Rot. Bonds1

About 2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine

2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine (PubChem CID 90985980) has the molecular formula C11H8FN9 and a molecular weight of 285.25 g/mol. Its IUPAC name is 2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine.

Molecular Properties

Compound Name2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine
PubChem CID90985980
Molecular FormulaC11H8FN9
Molecular Weight285.25 g/mol
Exact Mass285.09
IUPAC Name2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine
SMILESCc1ncnc2c1ncn2-n1cnc2c(N)nc(F)nc21
InChIInChI=1S/C11H8FN9/c1-5-6-9(15-2-14-5)20(3-16-6)21-4-17-7-8(13)18-11(12)19-10(7)21/h2-4H,1H3,(H2,13,18,19)
InChIKeyXCRJCLPNOYHUSG-UHFFFAOYSA-N
XLogP0.31
TPSA113.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine?
The IUPAC name of 2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine (CID 90985980) is 2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine.
What is the SMILES notation for 2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine?
The canonical SMILES for 2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine is Cc1ncnc2c1ncn2-n1cnc2c(N)nc(F)nc21.
What is the InChIKey of 2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine?
The InChIKey is XCRJCLPNOYHUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN9/c1-5-6-9(15-2-14-5)20(3-16-6)21-4-17-7-8(13)18-11(12)19-10(7)21/h2-4H,1H3,(H2,13,18,19).
What are the key properties of 2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine?
2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine has a molecular weight of 285.25 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-9-(6-methylpurin-9-yl)purin-6-amine is sourced from PubChem (CID 90985980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).