8-(5-chlorofuran-2-yl)-7H-purin-6-amine

C9H6ClN5O — CID 106688338

IUPAC8-(5-chlorofuran-2-yl)-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3ccc(Cl)o3)[nH]c12
InChIInChI=1S/C9H6ClN5O/c10-5-2-1-4(16-5)8-14-6-7(11)12-3-13-9(6)15-8/h1-3H,(H3,11,12,13,14,15)
InChIKeyNSNKULLYNMWEKP-UHFFFAOYSA-N
MW235.63 g/mol
LogP1.85
Rot. Bonds1

About 8-(5-chlorofuran-2-yl)-7H-purin-6-amine

8-(5-chlorofuran-2-yl)-7H-purin-6-amine (PubChem CID 106688338) has the molecular formula C9H6ClN5O and a molecular weight of 235.63 g/mol. Its IUPAC name is 8-(5-chlorofuran-2-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(5-chlorofuran-2-yl)-7H-purin-6-amine
PubChem CID106688338
Molecular FormulaC9H6ClN5O
Molecular Weight235.63 g/mol
Exact Mass235.03
IUPAC Name8-(5-chlorofuran-2-yl)-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3ccc(Cl)o3)[nH]c12
InChIInChI=1S/C9H6ClN5O/c10-5-2-1-4(16-5)8-14-6-7(11)12-3-13-9(6)15-8/h1-3H,(H3,11,12,13,14,15)
InChIKeyNSNKULLYNMWEKP-UHFFFAOYSA-N
XLogP1.85
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(5-chlorothiophen-2-yl)-7H-purin-6-amine
CID 114608421
8-(2-amino-5-chlorophenyl)-7H-purin-6-amine
CID 114607883
8-(5-amino-2-chlorophenyl)-7H-purin-6-amine
CID 114607833
8-[4-(chloromethyl)phenyl]-7H-purin-6-amine
CID 114608101
8-(2-bromofuran-3-yl)-7H-purin-6-amine
CID 106854955
8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine
CID 114608330
2-(6-amino-7H-purin-8-yl)-5-bromophenol
CID 137003589
8-(3,5-dimethylphenyl)-7H-purin-6-amine
CID 114608308
8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine
CID 114608408
6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one
CID 114040234
8-(3-methylthiophen-2-yl)-7H-purin-6-amine
CID 114608303
7H-purine-6,8-diamine;dihydrochloride
CID 45264504

Frequently Asked Questions

What is the IUPAC name of 8-(5-chlorofuran-2-yl)-7H-purin-6-amine?
The IUPAC name of 8-(5-chlorofuran-2-yl)-7H-purin-6-amine (CID 106688338) is 8-(5-chlorofuran-2-yl)-7H-purin-6-amine.
What is the SMILES notation for 8-(5-chlorofuran-2-yl)-7H-purin-6-amine?
The canonical SMILES for 8-(5-chlorofuran-2-yl)-7H-purin-6-amine is Nc1ncnc2nc(-c3ccc(Cl)o3)[nH]c12.
What is the InChIKey of 8-(5-chlorofuran-2-yl)-7H-purin-6-amine?
The InChIKey is NSNKULLYNMWEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN5O/c10-5-2-1-4(16-5)8-14-6-7(11)12-3-13-9(6)15-8/h1-3H,(H3,11,12,13,14,15).
What are the key properties of 8-(5-chlorofuran-2-yl)-7H-purin-6-amine?
8-(5-chlorofuran-2-yl)-7H-purin-6-amine has a molecular weight of 235.63 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chlorofuran-2-yl)-7H-purin-6-amine is sourced from PubChem (CID 106688338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).