8-(3-methylthiophen-2-yl)-7H-purin-6-amine

C10H9N5S — CID 114608303

IUPAC8-(3-methylthiophen-2-yl)-7H-purin-6-amine
SMILESCc1ccsc1-c1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C10H9N5S/c1-5-2-3-16-7(5)10-14-6-8(11)12-4-13-9(6)15-10/h2-4H,1H3,(H3,11,12,13,14,15)
InChIKeyHGFYLBGMWKHDRT-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.97
Rot. Bonds1

About 8-(3-methylthiophen-2-yl)-7H-purin-6-amine

8-(3-methylthiophen-2-yl)-7H-purin-6-amine (PubChem CID 114608303) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 8-(3-methylthiophen-2-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(3-methylthiophen-2-yl)-7H-purin-6-amine
PubChem CID114608303
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name8-(3-methylthiophen-2-yl)-7H-purin-6-amine
SMILESCc1ccsc1-c1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C10H9N5S/c1-5-2-3-16-7(5)10-14-6-8(11)12-4-13-9(6)15-10/h2-4H,1H3,(H3,11,12,13,14,15)
InChIKeyHGFYLBGMWKHDRT-UHFFFAOYSA-N
XLogP1.97
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-methylthiophen-2-yl)-7H-purine
CID 114402599
8-(4-amino-3-methylphenyl)-7H-purin-6-amine
CID 114608073
8-(3,5-dimethylphenyl)-7H-purin-6-amine
CID 114608308
8-(5-chlorothiophen-2-yl)-7H-purin-6-amine
CID 114608421
8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine
CID 114608321
8-(2-bromofuran-3-yl)-7H-purin-6-amine
CID 106854955
8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine
CID 114608408
8-methylsulfanyl-7H-purin-6-amine
CID 935524
8-(2-ethylphenyl)-7H-purin-6-amine
CID 114608258
8-(2,5-dimethylpyrazol-3-yl)-7H-purin-6-amine
CID 137003605
8-(5-chlorofuran-2-yl)-7H-purin-6-amine
CID 106688338
6-(6-amino-7H-purin-8-yl)-1H-pyridin-2-one
CID 114040234

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylthiophen-2-yl)-7H-purin-6-amine?
The IUPAC name of 8-(3-methylthiophen-2-yl)-7H-purin-6-amine (CID 114608303) is 8-(3-methylthiophen-2-yl)-7H-purin-6-amine.
What is the SMILES notation for 8-(3-methylthiophen-2-yl)-7H-purin-6-amine?
The canonical SMILES for 8-(3-methylthiophen-2-yl)-7H-purin-6-amine is Cc1ccsc1-c1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 8-(3-methylthiophen-2-yl)-7H-purin-6-amine?
The InChIKey is HGFYLBGMWKHDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-5-2-3-16-7(5)10-14-6-8(11)12-4-13-9(6)15-10/h2-4H,1H3,(H3,11,12,13,14,15).
What are the key properties of 8-(3-methylthiophen-2-yl)-7H-purin-6-amine?
8-(3-methylthiophen-2-yl)-7H-purin-6-amine has a molecular weight of 231.28 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylthiophen-2-yl)-7H-purin-6-amine is sourced from PubChem (CID 114608303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).