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

C9H6ClN5S — CID 114608421

IUPAC8-(5-chlorothiophen-2-yl)-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3ccc(Cl)s3)[nH]c12
InChIInChI=1S/C9H6ClN5S/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)
InChIKeyCJZDJFBAZMEKRH-UHFFFAOYSA-N
MW251.70 g/mol
LogP2.32
Rot. Bonds1

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

8-(5-chlorothiophen-2-yl)-7H-purin-6-amine (PubChem CID 114608421) has the molecular formula C9H6ClN5S and a molecular weight of 251.70 g/mol. Its IUPAC name is 8-(5-chlorothiophen-2-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(5-chlorothiophen-2-yl)-7H-purin-6-amine
PubChem CID114608421
Molecular FormulaC9H6ClN5S
Molecular Weight251.70 g/mol
Exact Mass251.00
IUPAC Name8-(5-chlorothiophen-2-yl)-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3ccc(Cl)s3)[nH]c12
InChIInChI=1S/C9H6ClN5S/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)
InChIKeyCJZDJFBAZMEKRH-UHFFFAOYSA-N
XLogP2.32
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.70
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-chlorothiophen-2-yl)-7H-purin-6-amine?
The IUPAC name of 8-(5-chlorothiophen-2-yl)-7H-purin-6-amine (CID 114608421) is 8-(5-chlorothiophen-2-yl)-7H-purin-6-amine.
What is the SMILES notation for 8-(5-chlorothiophen-2-yl)-7H-purin-6-amine?
The canonical SMILES for 8-(5-chlorothiophen-2-yl)-7H-purin-6-amine is Nc1ncnc2nc(-c3ccc(Cl)s3)[nH]c12.
What is the InChIKey of 8-(5-chlorothiophen-2-yl)-7H-purin-6-amine?
The InChIKey is CJZDJFBAZMEKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN5S/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-chlorothiophen-2-yl)-7H-purin-6-amine?
8-(5-chlorothiophen-2-yl)-7H-purin-6-amine has a molecular weight of 251.70 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chlorothiophen-2-yl)-7H-purin-6-amine is sourced from PubChem (CID 114608421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).