8-(3-methylthiophen-2-yl)-7H-purine

C10H8N4S — CID 114402599

IUPAC8-(3-methylthiophen-2-yl)-7H-purine
SMILESCc1ccsc1-c1nc2ncncc2[nH]1
InChIInChI=1S/C10H8N4S/c1-6-2-3-15-8(6)10-13-7-4-11-5-12-9(7)14-10/h2-5H,1H3,(H,11,12,13,14)
InChIKeyQDZYQDWCSQVKAY-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.39
Rot. Bonds1

About 8-(3-methylthiophen-2-yl)-7H-purine

8-(3-methylthiophen-2-yl)-7H-purine (PubChem CID 114402599) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 8-(3-methylthiophen-2-yl)-7H-purine.

Molecular Properties

Compound Name8-(3-methylthiophen-2-yl)-7H-purine
PubChem CID114402599
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name8-(3-methylthiophen-2-yl)-7H-purine
SMILESCc1ccsc1-c1nc2ncncc2[nH]1
InChIInChI=1S/C10H8N4S/c1-6-2-3-15-8(6)10-13-7-4-11-5-12-9(7)14-10/h2-5H,1H3,(H,11,12,13,14)
InChIKeyQDZYQDWCSQVKAY-UHFFFAOYSA-N
XLogP2.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-(7H-purin-8-yl)-1,3-thiazole
CID 114402555
8-(3-chloro-4-methylthiophen-2-yl)-7H-purine
CID 103402885
2-(7H-purin-8-yl)-1,3-thiazole
CID 67998499
8-(3-methylthiophen-2-yl)-7H-purin-6-amine
CID 114608303
N-methyl-2-(3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821675
8-thiophen-3-yl-7H-purine
CID 114402602
8-(4-methylsulfanylphenyl)-7H-purine
CID 114402617
4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole
CID 60646555
8-(5-methylfuran-3-yl)-7H-purine
CID 114821646
2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine
CID 24695739
3-fluoro-2-(7H-purin-8-yl)phenol
CID 136959758
8-(2-tert-butylphenyl)-7H-purine
CID 114402739

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylthiophen-2-yl)-7H-purine?
The IUPAC name of 8-(3-methylthiophen-2-yl)-7H-purine (CID 114402599) is 8-(3-methylthiophen-2-yl)-7H-purine.
What is the SMILES notation for 8-(3-methylthiophen-2-yl)-7H-purine?
The canonical SMILES for 8-(3-methylthiophen-2-yl)-7H-purine is Cc1ccsc1-c1nc2ncncc2[nH]1.
What is the InChIKey of 8-(3-methylthiophen-2-yl)-7H-purine?
The InChIKey is QDZYQDWCSQVKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c1-6-2-3-15-8(6)10-13-7-4-11-5-12-9(7)14-10/h2-5H,1H3,(H,11,12,13,14).
What are the key properties of 8-(3-methylthiophen-2-yl)-7H-purine?
8-(3-methylthiophen-2-yl)-7H-purine has a molecular weight of 216.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylthiophen-2-yl)-7H-purine is sourced from PubChem (CID 114402599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).