9-thiophen-3-ylpurin-6-amine

C9H7N5S — CID 125496047

IUPAC9-thiophen-3-ylpurin-6-amine
SMILESNc1ncnc2c1ncn2-c1ccsc1
InChIInChI=1S/C9H7N5S/c10-8-7-9(12-4-11-8)14(5-13-7)6-1-2-15-3-6/h1-5H,(H2,10,11,12)
InChIKeyUUBVMHAYURIZOQ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.46
Rot. Bonds1

About 9-thiophen-3-ylpurin-6-amine

9-thiophen-3-ylpurin-6-amine (PubChem CID 125496047) has the molecular formula C9H7N5S and a molecular weight of 217.26 g/mol. Its IUPAC name is 9-thiophen-3-ylpurin-6-amine.

Molecular Properties

Compound Name9-thiophen-3-ylpurin-6-amine
PubChem CID125496047
Molecular FormulaC9H7N5S
Molecular Weight217.26 g/mol
Exact Mass217.04
IUPAC Name9-thiophen-3-ylpurin-6-amine
SMILESNc1ncnc2c1ncn2-c1ccsc1
InChIInChI=1S/C9H7N5S/c10-8-7-9(12-4-11-8)14(5-13-7)6-1-2-15-3-6/h1-5H,(H2,10,11,12)
InChIKeyUUBVMHAYURIZOQ-UHFFFAOYSA-N
XLogP1.46
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine
CID 102192385
2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine
CID 117093832
9-(3-chloro-4-methoxyphenyl)purin-6-amine
CID 171806311
(1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol
CID 11253697
9-phosphorosopurin-6-amine
CID 57110561
1-[4-(6-aminopurin-9-yl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 23154952
2-chloro-N-propyl-9-thiophen-3-ylpurin-6-amine
CID 117084827
1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866969
(6-aminopurin-9-yl)urea
CID 57269838
2-[[2-(3-aminophenyl)-9-thiophen-3-ylpurin-6-yl]amino]ethanol
CID 117091353
(6-aminopurin-9-yl) formate
CID 57250144
ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine
CID 143869511

Frequently Asked Questions

What is the IUPAC name of 9-thiophen-3-ylpurin-6-amine?
The IUPAC name of 9-thiophen-3-ylpurin-6-amine (CID 125496047) is 9-thiophen-3-ylpurin-6-amine.
What is the SMILES notation for 9-thiophen-3-ylpurin-6-amine?
The canonical SMILES for 9-thiophen-3-ylpurin-6-amine is Nc1ncnc2c1ncn2-c1ccsc1.
What is the InChIKey of 9-thiophen-3-ylpurin-6-amine?
The InChIKey is UUBVMHAYURIZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S/c10-8-7-9(12-4-11-8)14(5-13-7)6-1-2-15-3-6/h1-5H,(H2,10,11,12).
What are the key properties of 9-thiophen-3-ylpurin-6-amine?
9-thiophen-3-ylpurin-6-amine has a molecular weight of 217.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-thiophen-3-ylpurin-6-amine is sourced from PubChem (CID 125496047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).