2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine

C13H10N8S — CID 117093832

IUPAC2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine
SMILESNc1nc(Nc2cnccn2)nc2c1ncn2-c1ccsc1
InChIInChI=1S/C13H10N8S/c14-11-10-12(21(7-17-10)8-1-4-22-6-8)20-13(19-11)18-9-5-15-2-3-16-9/h1-7H,(H3,14,16,18,19,20)
InChIKeyFCJDCIITWBIIIZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.99
Rot. Bonds3

About 2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine

2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine (PubChem CID 117093832) has the molecular formula C13H10N8S and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine.

Molecular Properties

Compound Name2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine
PubChem CID117093832
Molecular FormulaC13H10N8S
Molecular Weight310.35 g/mol
Exact Mass310.07
IUPAC Name2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine
SMILESNc1nc(Nc2cnccn2)nc2c1ncn2-c1ccsc1
InChIInChI=1S/C13H10N8S/c14-11-10-12(21(7-17-10)8-1-4-22-6-8)20-13(19-11)18-9-5-15-2-3-16-9/h1-7H,(H3,14,16,18,19,20)
InChIKeyFCJDCIITWBIIIZ-UHFFFAOYSA-N
XLogP1.99
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine?
The IUPAC name of 2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine (CID 117093832) is 2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine.
What is the SMILES notation for 2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine?
The canonical SMILES for 2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine is Nc1nc(Nc2cnccn2)nc2c1ncn2-c1ccsc1.
What is the InChIKey of 2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine?
The InChIKey is FCJDCIITWBIIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N8S/c14-11-10-12(21(7-17-10)8-1-4-22-6-8)20-13(19-11)18-9-5-15-2-3-16-9/h1-7H,(H3,14,16,18,19,20).
What are the key properties of 2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine?
2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine has a molecular weight of 310.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine is sourced from PubChem (CID 117093832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).