8-thiophen-3-yl-7H-purine

C9H6N4S — CID 114402602

IUPAC8-thiophen-3-yl-7H-purine
SMILESc1ncc2[nH]c(-c3ccsc3)nc2n1
InChIInChI=1S/C9H6N4S/c1-2-14-4-6(1)8-12-7-3-10-5-11-9(7)13-8/h1-5H,(H,10,11,12,13)
InChIKeyDANOCBURAPLIKS-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.08
Rot. Bonds1

About 8-thiophen-3-yl-7H-purine

8-thiophen-3-yl-7H-purine (PubChem CID 114402602) has the molecular formula C9H6N4S and a molecular weight of 202.24 g/mol. Its IUPAC name is 8-thiophen-3-yl-7H-purine.

Molecular Properties

Compound Name8-thiophen-3-yl-7H-purine
PubChem CID114402602
Molecular FormulaC9H6N4S
Molecular Weight202.24 g/mol
Exact Mass202.03
IUPAC Name8-thiophen-3-yl-7H-purine
SMILESc1ncc2[nH]c(-c3ccsc3)nc2n1
InChIInChI=1S/C9H6N4S/c1-2-14-4-6(1)8-12-7-3-10-5-11-9(7)13-8/h1-5H,(H,10,11,12,13)
InChIKeyDANOCBURAPLIKS-UHFFFAOYSA-N
XLogP2.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820668
8-(4-methylsulfanylphenyl)-7H-purine
CID 114402617
4-(7H-purin-8-yl)pyridin-2-amine
CID 114402124
8-(3-methylthiophen-2-yl)-7H-purine
CID 114402599
2-(7H-purin-8-yl)-1,3-thiazole
CID 67998499
8-(4-cyclopropylphenyl)-7H-purine
CID 167906113
8-(5-bromo-3-pyridinyl)-7H-purine
CID 114402746
8-(3,4,5-trimethoxyphenyl)-7H-purine
CID 114402745
3-chloro-5-(7H-purin-8-yl)phenol
CID 167797751
2-[4-(7H-purin-8-yl)phenyl]ethanamine
CID 114401958
2,6-dichloro-4-(7H-purin-8-yl)aniline
CID 114402139
8-(5-methylfuran-3-yl)-7H-purine
CID 114821646

Frequently Asked Questions

What is the IUPAC name of 8-thiophen-3-yl-7H-purine?
The IUPAC name of 8-thiophen-3-yl-7H-purine (CID 114402602) is 8-thiophen-3-yl-7H-purine.
What is the SMILES notation for 8-thiophen-3-yl-7H-purine?
The canonical SMILES for 8-thiophen-3-yl-7H-purine is c1ncc2[nH]c(-c3ccsc3)nc2n1.
What is the InChIKey of 8-thiophen-3-yl-7H-purine?
The InChIKey is DANOCBURAPLIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S/c1-2-14-4-6(1)8-12-7-3-10-5-11-9(7)13-8/h1-5H,(H,10,11,12,13).
What are the key properties of 8-thiophen-3-yl-7H-purine?
8-thiophen-3-yl-7H-purine has a molecular weight of 202.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thiophen-3-yl-7H-purine is sourced from PubChem (CID 114402602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).