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

C10H9N5S — CID 756684

IUPACN-(thiophen-2-ylmethyl)-7H-purin-6-amine
SMILESc1csc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H9N5S/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
InChIKeyJYIRPMVEWLTUGX-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.03
Rot. Bonds3

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

N-(thiophen-2-ylmethyl)-7H-purin-6-amine (PubChem CID 756684) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-7H-purin-6-amine
PubChem CID756684
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC NameN-(thiophen-2-ylmethyl)-7H-purin-6-amine
SMILESc1csc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H9N5S/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
InChIKeyJYIRPMVEWLTUGX-UHFFFAOYSA-N
XLogP2.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(thiophen-2-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

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-7H-purin-6-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)-7H-purin-6-amine (CID 756684) is N-(thiophen-2-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-7H-purin-6-amine is c1csc(CNc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-7H-purin-6-amine?
The InChIKey is JYIRPMVEWLTUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15).
What are the key properties of N-(thiophen-2-ylmethyl)-7H-purin-6-amine?
N-(thiophen-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 231.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 756684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).