9-propan-2-yl-2-thiophen-2-ylpurin-6-amine

C12H13N5S — CID 117090774

IUPAC9-propan-2-yl-2-thiophen-2-ylpurin-6-amine
SMILESCC(C)n1cnc2c(N)nc(-c3cccs3)nc21
InChIInChI=1S/C12H13N5S/c1-7(2)17-6-14-9-10(13)15-11(16-12(9)17)8-4-3-5-18-8/h3-7H,1-2H3,(H2,13,15,16)
InChIKeyXINKLULDKJZEQR-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.72
Rot. Bonds2

About 9-propan-2-yl-2-thiophen-2-ylpurin-6-amine

9-propan-2-yl-2-thiophen-2-ylpurin-6-amine (PubChem CID 117090774) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 9-propan-2-yl-2-thiophen-2-ylpurin-6-amine.

Molecular Properties

Compound Name9-propan-2-yl-2-thiophen-2-ylpurin-6-amine
PubChem CID117090774
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name9-propan-2-yl-2-thiophen-2-ylpurin-6-amine
SMILESCC(C)n1cnc2c(N)nc(-c3cccs3)nc21
InChIInChI=1S/C12H13N5S/c1-7(2)17-6-14-9-10(13)15-11(16-12(9)17)8-4-3-5-18-8/h3-7H,1-2H3,(H2,13,15,16)
InChIKeyXINKLULDKJZEQR-UHFFFAOYSA-N
XLogP2.72
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-2-thiophen-2-ylpurin-6-amine?
The IUPAC name of 9-propan-2-yl-2-thiophen-2-ylpurin-6-amine (CID 117090774) is 9-propan-2-yl-2-thiophen-2-ylpurin-6-amine.
What is the SMILES notation for 9-propan-2-yl-2-thiophen-2-ylpurin-6-amine?
The canonical SMILES for 9-propan-2-yl-2-thiophen-2-ylpurin-6-amine is CC(C)n1cnc2c(N)nc(-c3cccs3)nc21.
What is the InChIKey of 9-propan-2-yl-2-thiophen-2-ylpurin-6-amine?
The InChIKey is XINKLULDKJZEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-7(2)17-6-14-9-10(13)15-11(16-12(9)17)8-4-3-5-18-8/h3-7H,1-2H3,(H2,13,15,16).
What are the key properties of 9-propan-2-yl-2-thiophen-2-ylpurin-6-amine?
9-propan-2-yl-2-thiophen-2-ylpurin-6-amine has a molecular weight of 259.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-2-thiophen-2-ylpurin-6-amine is sourced from PubChem (CID 117090774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).