8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine

C19H14N6S — CID 117088964

IUPAC8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine
SMILESc1cncc(CNc2ncnc3nc(-c4csc5ccccc45)[nH]c23)c1
InChIInChI=1S/C19H14N6S/c1-2-6-15-13(5-1)14(10-26-15)17-24-16-18(22-11-23-19(16)25-17)21-9-12-4-3-7-20-8-12/h1-8,10-11H,9H2,(H2,21,22,23,24,25)
InChIKeyKTCNQUOSANCJCC-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.24
Rot. Bonds4

About 8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine

8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine (PubChem CID 117088964) has the molecular formula C19H14N6S and a molecular weight of 358.43 g/mol. Its IUPAC name is 8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine
PubChem CID117088964
Molecular FormulaC19H14N6S
Molecular Weight358.43 g/mol
Exact Mass358.10
IUPAC Name8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine
SMILESc1cncc(CNc2ncnc3nc(-c4csc5ccccc45)[nH]c23)c1
InChIInChI=1S/C19H14N6S/c1-2-6-15-13(5-1)14(10-26-15)17-24-16-18(22-11-23-19(16)25-17)21-9-12-4-3-7-20-8-12/h1-8,10-11H,9H2,(H2,21,22,23,24,25)
InChIKeyKTCNQUOSANCJCC-UHFFFAOYSA-N
XLogP4.24
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(1-benzothiophen-3-yl)-N-(pyridin-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

8-(1-benzothiophen-3-yl)-N-cyclopropyl-7H-purin-6-amine
CID 117084401
2-(1-benzothiophen-3-yl)-9-phenyl-N-(pyridin-3-ylmethyl)purin-6-amine
CID 117091216
N-benzyl-8-(4-phenylphenyl)-7H-purin-6-amine
CID 59408936
6-N-(pyridin-3-ylmethyl)-8-N-(3,4,5-trimethoxyphenyl)-7H-purine-6,8-diamine
CID 117092412
6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430201
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine
CID 117083026
N-[[6-(1-benzothiophen-3-yl)-3-pyridinyl]methyl]prop-2-enamide
CID 172887459
2-(3-chlorothiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
CID 91964577
N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964418
6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22542797
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine?
The IUPAC name of 8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine (CID 117088964) is 8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for 8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine is c1cncc(CNc2ncnc3nc(-c4csc5ccccc45)[nH]c23)c1.
What is the InChIKey of 8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine?
The InChIKey is KTCNQUOSANCJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6S/c1-2-6-15-13(5-1)14(10-26-15)17-24-16-18(22-11-23-19(16)25-17)21-9-12-4-3-7-20-8-12/h1-8,10-11H,9H2,(H2,21,22,23,24,25).
What are the key properties of 8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine?
8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine has a molecular weight of 358.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 117088964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).