8-(3-chloro-4-methylthiophen-2-yl)-7H-purine

C10H7ClN4S — CID 103402885

IUPAC8-(3-chloro-4-methylthiophen-2-yl)-7H-purine
SMILESCc1csc(-c2nc3ncncc3[nH]2)c1Cl
InChIInChI=1S/C10H7ClN4S/c1-5-3-16-8(7(5)11)10-14-6-2-12-4-13-9(6)15-10/h2-4H,1H3,(H,12,13,14,15)
InChIKeyJKNXDBIIQOBZTD-UHFFFAOYSA-N
MW250.71 g/mol
LogP3.04
Rot. Bonds1

About 8-(3-chloro-4-methylthiophen-2-yl)-7H-purine

8-(3-chloro-4-methylthiophen-2-yl)-7H-purine (PubChem CID 103402885) has the molecular formula C10H7ClN4S and a molecular weight of 250.71 g/mol. Its IUPAC name is 8-(3-chloro-4-methylthiophen-2-yl)-7H-purine.

Molecular Properties

Compound Name8-(3-chloro-4-methylthiophen-2-yl)-7H-purine
PubChem CID103402885
Molecular FormulaC10H7ClN4S
Molecular Weight250.71 g/mol
Exact Mass250.01
IUPAC Name8-(3-chloro-4-methylthiophen-2-yl)-7H-purine
SMILESCc1csc(-c2nc3ncncc3[nH]2)c1Cl
InChIInChI=1S/C10H7ClN4S/c1-5-3-16-8(7(5)11)10-14-6-2-12-4-13-9(6)15-10/h2-4H,1H3,(H,12,13,14,15)
InChIKeyJKNXDBIIQOBZTD-UHFFFAOYSA-N
XLogP3.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(3-chloro-4-methylthiophen-2-yl)-7H-purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
CID 103402838
8-(3-methylthiophen-2-yl)-7H-purine
CID 114402599
methyl 4-chloro-5-(7H-purin-8-yl)thiophene-3-carboxylate
CID 167917296
2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 103402863
4-methyl-5-(7H-purin-8-yl)-1,3-thiazole
CID 114402555
2-(3-chloro-4-methylthiophen-2-yl)-5,6-difluoro-1H-benzimidazole
CID 103402837
2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole
CID 103402830
2-(7H-purin-8-yl)-1,3-thiazole
CID 67998499
2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole
CID 103402869
8-thiophen-3-yl-7H-purine
CID 114402602
8-(5-methylfuran-3-yl)-7H-purine
CID 114821646
2,6-dichloro-4-(7H-purin-8-yl)aniline
CID 114402139

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-methylthiophen-2-yl)-7H-purine?
The IUPAC name of 8-(3-chloro-4-methylthiophen-2-yl)-7H-purine (CID 103402885) is 8-(3-chloro-4-methylthiophen-2-yl)-7H-purine.
What is the SMILES notation for 8-(3-chloro-4-methylthiophen-2-yl)-7H-purine?
The canonical SMILES for 8-(3-chloro-4-methylthiophen-2-yl)-7H-purine is Cc1csc(-c2nc3ncncc3[nH]2)c1Cl.
What is the InChIKey of 8-(3-chloro-4-methylthiophen-2-yl)-7H-purine?
The InChIKey is JKNXDBIIQOBZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4S/c1-5-3-16-8(7(5)11)10-14-6-2-12-4-13-9(6)15-10/h2-4H,1H3,(H,12,13,14,15).
What are the key properties of 8-(3-chloro-4-methylthiophen-2-yl)-7H-purine?
8-(3-chloro-4-methylthiophen-2-yl)-7H-purine has a molecular weight of 250.71 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4-methylthiophen-2-yl)-7H-purine is sourced from PubChem (CID 103402885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).