2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide

C15H12N6O2S — CID 10291002

IUPAC2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide
SMILESNc1nc(-c2ccco2)c2ncn(C(=O)NCc3cccs3)c2n1
InChIInChI=1S/C15H12N6O2S/c16-14-19-11(10-4-1-5-23-10)12-13(20-14)21(8-18-12)15(22)17-7-9-3-2-6-24-9/h1-6,8H,7H2,(H,17,22)(H2,16,19,20)
InChIKeyGKLBSQTXWHNDSY-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.49
Rot. Bonds3

About 2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide

2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide (PubChem CID 10291002) has the molecular formula C15H12N6O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is 2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide.

Molecular Properties

Compound Name2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide
PubChem CID10291002
Molecular FormulaC15H12N6O2S
Molecular Weight340.37 g/mol
Exact Mass340.07
IUPAC Name2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide
SMILESNc1nc(-c2ccco2)c2ncn(C(=O)NCc3cccs3)c2n1
InChIInChI=1S/C15H12N6O2S/c16-14-19-11(10-4-1-5-23-10)12-13(20-14)21(8-18-12)15(22)17-7-9-3-2-6-24-9/h1-6,8H,7H2,(H,17,22)(H2,16,19,20)
InChIKeyGKLBSQTXWHNDSY-UHFFFAOYSA-N
XLogP2.49
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide?
The IUPAC name of 2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide (CID 10291002) is 2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide.
What is the SMILES notation for 2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide?
The canonical SMILES for 2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide is Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3cccs3)c2n1.
What is the InChIKey of 2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide?
The InChIKey is GKLBSQTXWHNDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S/c16-14-19-11(10-4-1-5-23-10)12-13(20-14)21(8-18-12)15(22)17-7-9-3-2-6-24-9/h1-6,8H,7H2,(H,17,22)(H2,16,19,20).
What are the key properties of 2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide?
2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(furan-2-yl)-N-(thiophen-2-ylmethyl)purine-9-carboxamide is sourced from PubChem (CID 10291002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).