7-propan-2-ylpurin-6-amine

C8H11N5 — CID 23562742

IUPAC7-propan-2-ylpurin-6-amine
SMILESCC(C)n1cnc2ncnc(N)c21
InChIInChI=1S/C8H11N5/c1-5(2)13-4-12-8-6(13)7(9)10-3-11-8/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyWAPXYHTXSGPYEX-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.99
Rot. Bonds1

About 7-propan-2-ylpurin-6-amine

7-propan-2-ylpurin-6-amine (PubChem CID 23562742) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 7-propan-2-ylpurin-6-amine.

Molecular Properties

Compound Name7-propan-2-ylpurin-6-amine
PubChem CID23562742
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name7-propan-2-ylpurin-6-amine
SMILESCC(C)n1cnc2ncnc(N)c21
InChIInChI=1S/C8H11N5/c1-5(2)13-4-12-8-6(13)7(9)10-3-11-8/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyWAPXYHTXSGPYEX-UHFFFAOYSA-N
XLogP0.99
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylpurin-6-amine?
The IUPAC name of 7-propan-2-ylpurin-6-amine (CID 23562742) is 7-propan-2-ylpurin-6-amine.
What is the SMILES notation for 7-propan-2-ylpurin-6-amine?
The canonical SMILES for 7-propan-2-ylpurin-6-amine is CC(C)n1cnc2ncnc(N)c21.
What is the InChIKey of 7-propan-2-ylpurin-6-amine?
The InChIKey is WAPXYHTXSGPYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-5(2)13-4-12-8-6(13)7(9)10-3-11-8/h3-5H,1-2H3,(H2,9,10,11).
What are the key properties of 7-propan-2-ylpurin-6-amine?
7-propan-2-ylpurin-6-amine has a molecular weight of 177.21 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylpurin-6-amine is sourced from PubChem (CID 23562742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).