8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine

C17H14FN7 — CID 58441916

IUPAC8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine
SMILESCn1c(-c2ccnc(N)c2)nc2cnc(Nc3ccc(F)cc3)nc21
InChIInChI=1S/C17H14FN7/c1-25-15(10-6-7-20-14(19)8-10)23-13-9-21-17(24-16(13)25)22-12-4-2-11(18)3-5-12/h2-9H,1H3,(H2,19,20)(H,21,22,24)
InChIKeyXYQZJJVYRGHMIH-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.89
Rot. Bonds3

About 8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine

8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine (PubChem CID 58441916) has the molecular formula C17H14FN7 and a molecular weight of 335.35 g/mol. Its IUPAC name is 8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine.

Molecular Properties

Compound Name8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine
PubChem CID58441916
Molecular FormulaC17H14FN7
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine
SMILESCn1c(-c2ccnc(N)c2)nc2cnc(Nc3ccc(F)cc3)nc21
InChIInChI=1S/C17H14FN7/c1-25-15(10-6-7-20-14(19)8-10)23-13-9-21-17(24-16(13)25)22-12-4-2-11(18)3-5-12/h2-9H,1H3,(H2,19,20)(H,21,22,24)
InChIKeyXYQZJJVYRGHMIH-UHFFFAOYSA-N
XLogP2.89
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine?
The IUPAC name of 8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine (CID 58441916) is 8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine.
What is the SMILES notation for 8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine?
The canonical SMILES for 8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine is Cn1c(-c2ccnc(N)c2)nc2cnc(Nc3ccc(F)cc3)nc21.
What is the InChIKey of 8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine?
The InChIKey is XYQZJJVYRGHMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7/c1-25-15(10-6-7-20-14(19)8-10)23-13-9-21-17(24-16(13)25)22-12-4-2-11(18)3-5-12/h2-9H,1H3,(H2,19,20)(H,21,22,24).
What are the key properties of 8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine?
8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine has a molecular weight of 335.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-4-pyridinyl)-N-(4-fluorophenyl)-9-methylpurin-2-amine is sourced from PubChem (CID 58441916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).