2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine

C10H8ClN5S — CID 104697682

IUPAC2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine
SMILESClc1nc(NCc2ccsc2)c2[nH]cnc2n1
InChIInChI=1S/C10H8ClN5S/c11-10-15-8(7-9(16-10)14-5-13-7)12-3-6-1-2-17-4-6/h1-2,4-5H,3H2,(H2,12,13,14,15,16)
InChIKeyJOPUUKJFTKWHEC-UHFFFAOYSA-N
MW265.73 g/mol
LogP2.68
Rot. Bonds3

About 2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine

2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine (PubChem CID 104697682) has the molecular formula C10H8ClN5S and a molecular weight of 265.73 g/mol. Its IUPAC name is 2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine
PubChem CID104697682
Molecular FormulaC10H8ClN5S
Molecular Weight265.73 g/mol
Exact Mass265.02
IUPAC Name2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine
SMILESClc1nc(NCc2ccsc2)c2[nH]cnc2n1
InChIInChI=1S/C10H8ClN5S/c11-10-15-8(7-9(16-10)14-5-13-7)12-3-6-1-2-17-4-6/h1-2,4-5H,3H2,(H2,12,13,14,15,16)
InChIKeyJOPUUKJFTKWHEC-UHFFFAOYSA-N
XLogP2.68
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.73
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine 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-N-ethyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine
CID 114785152
2-chloro-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-7H-purin-6-amine
CID 20609840
2-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-7H-purin-6-amine
CID 113442692
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
2-chloro-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine
CID 167800154
2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697462
2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine
CID 167981410
2-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-7H-purin-6-amine
CID 167815074
2-chloro-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-7H-purin-6-amine
CID 167746406
N-(1-benzofuran-2-ylmethyl)-2-chloro-7H-purin-6-amine
CID 134481136
2-chloro-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-7H-purin-6-amine
CID 167987617
2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-7H-purin-6-amine
CID 103293198

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine (CID 104697682) is 2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine is Clc1nc(NCc2ccsc2)c2[nH]cnc2n1.
What is the InChIKey of 2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine?
The InChIKey is JOPUUKJFTKWHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5S/c11-10-15-8(7-9(16-10)14-5-13-7)12-3-6-1-2-17-4-6/h1-2,4-5H,3H2,(H2,12,13,14,15,16).
What are the key properties of 2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine?
2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine has a molecular weight of 265.73 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(thiophen-3-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 104697682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).