2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine

C13H11ClFN5 — CID 104697462

IUPAC2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine
SMILESFc1ccc(CCNc2nc(Cl)nc3nc[nH]c23)cc1
InChIInChI=1S/C13H11ClFN5/c14-13-19-11(10-12(20-13)18-7-17-10)16-6-5-8-1-3-9(15)4-2-8/h1-4,7H,5-6H2,(H2,16,17,18,19,20)
InChIKeyHOQDTBLILWJXAG-UHFFFAOYSA-N
MW291.72 g/mol
LogP2.80
Rot. Bonds4

About 2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine

2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine (PubChem CID 104697462) has the molecular formula C13H11ClFN5 and a molecular weight of 291.72 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine
PubChem CID104697462
Molecular FormulaC13H11ClFN5
Molecular Weight291.72 g/mol
Exact Mass291.07
IUPAC Name2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine
SMILESFc1ccc(CCNc2nc(Cl)nc3nc[nH]c23)cc1
InChIInChI=1S/C13H11ClFN5/c14-13-19-11(10-12(20-13)18-7-17-10)16-6-5-8-1-3-9(15)4-2-8/h1-4,7H,5-6H2,(H2,16,17,18,19,20)
InChIKeyHOQDTBLILWJXAG-UHFFFAOYSA-N
XLogP2.80
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697506
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine
CID 104697470
2-chloro-N-(4-propylphenyl)-7H-purin-6-amine
CID 104787158
2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine
CID 121390717
4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
CID 104623404
2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine
CID 20609840
N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 104697478
2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine
CID 104697509
2-(aminomethyl)-N-(2-phenylethyl)-7H-purin-6-amine
CID 142654616
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-7H-purin-6-amine
CID 104697689
2-chloro-N-[1-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697597

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine (CID 104697462) is 2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine is Fc1ccc(CCNc2nc(Cl)nc3nc[nH]c23)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine?
The InChIKey is HOQDTBLILWJXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN5/c14-13-19-11(10-12(20-13)18-7-17-10)16-6-5-8-1-3-9(15)4-2-8/h1-4,7H,5-6H2,(H2,16,17,18,19,20).
What are the key properties of 2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine?
2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine has a molecular weight of 291.72 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 104697462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).