N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine

C16H12FN7 — CID 126622458

IUPACN-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine
SMILESCc1cccc(-c2nc(Nc3ccncc3F)c3[nH]cnc3n2)n1
InChIInChI=1S/C16H12FN7/c1-9-3-2-4-12(21-9)14-23-15-13(19-8-20-15)16(24-14)22-11-5-6-18-7-10(11)17/h2-8H,1H3,(H2,18,19,20,22,23,24)
InChIKeyVTTVMOPKTBXKIB-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.00
Rot. Bonds3

About N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine

N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine (PubChem CID 126622458) has the molecular formula C16H12FN7 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine
PubChem CID126622458
Molecular FormulaC16H12FN7
Molecular Weight321.32 g/mol
Exact Mass321.11
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine
SMILESCc1cccc(-c2nc(Nc3ccncc3F)c3[nH]cnc3n2)n1
InChIInChI=1S/C16H12FN7/c1-9-3-2-4-12(21-9)14-23-15-13(19-8-20-15)16(24-14)22-11-5-6-18-7-10(11)17/h2-8H,1H3,(H2,18,19,20,22,23,24)
InChIKeyVTTVMOPKTBXKIB-UHFFFAOYSA-N
XLogP3.00
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-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 N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine (CID 126622458) is N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine is Cc1cccc(-c2nc(Nc3ccncc3F)c3[nH]cnc3n2)n1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine?
The InChIKey is VTTVMOPKTBXKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN7/c1-9-3-2-4-12(21-9)14-23-15-13(19-8-20-15)16(24-14)22-11-5-6-18-7-10(11)17/h2-8H,1H3,(H2,18,19,20,22,23,24).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine?
N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine has a molecular weight of 321.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7H-purin-6-amine is sourced from PubChem (CID 126622458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).