2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine

C13H13FN6 — CID 121390717

IUPAC2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine
SMILESNc1nc(NCCc2ccc(F)cc2)nc2nc[nH]c12
InChIInChI=1S/C13H13FN6/c14-9-3-1-8(2-4-9)5-6-16-13-19-11(15)10-12(20-13)18-7-17-10/h1-4,7H,5-6H2,(H4,15,16,17,18,19,20)
InChIKeyIVWFQIMPJXSMJT-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.73
Rot. Bonds4

About 2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine

2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine (PubChem CID 121390717) has the molecular formula C13H13FN6 and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine
PubChem CID121390717
Molecular FormulaC13H13FN6
Molecular Weight272.29 g/mol
Exact Mass272.12
IUPAC Name2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine
SMILESNc1nc(NCCc2ccc(F)cc2)nc2nc[nH]c12
InChIInChI=1S/C13H13FN6/c14-9-3-1-8(2-4-9)5-6-16-13-19-11(15)10-12(20-13)18-7-17-10/h1-4,7H,5-6H2,(H4,15,16,17,18,19,20)
InChIKeyIVWFQIMPJXSMJT-UHFFFAOYSA-N
XLogP1.73
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697462
4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
CID 104623404
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395
2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine
CID 167947742
6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 39377702
2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771068
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
CID 142654616
2-N-(2-phenylethyl)-7H-purin-9-ium-2,6-diamine
CID 123419618
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
6-N-(2-phenylethyl)-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
CID 155555496
4-[2-[[2-(pyridin-3-ylmethylamino)-7H-purin-6-yl]amino]ethyl]phenol
CID 117082288

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine (CID 121390717) is 2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine is Nc1nc(NCCc2ccc(F)cc2)nc2nc[nH]c12.
What is the InChIKey of 2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is IVWFQIMPJXSMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6/c14-9-3-1-8(2-4-9)5-6-16-13-19-11(15)10-12(20-13)18-7-17-10/h1-4,7H,5-6H2,(H4,15,16,17,18,19,20).
What are the key properties of 2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine?
2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 272.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 121390717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).