9-propan-2-ylpurine-2,6-diamine

C8H12N6 — CID 23562749

IUPAC9-propan-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(N)nc(N)nc21
InChIInChI=1S/C8H12N6/c1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4H,1-2H3,(H4,9,10,12,13)
InChIKeyGHWBEQGSJDSRJO-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.57
Rot. Bonds1

About 9-propan-2-ylpurine-2,6-diamine

9-propan-2-ylpurine-2,6-diamine (PubChem CID 23562749) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 9-propan-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name9-propan-2-ylpurine-2,6-diamine
PubChem CID23562749
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name9-propan-2-ylpurine-2,6-diamine
SMILESCC(C)n1cnc2c(N)nc(N)nc21
InChIInChI=1S/C8H12N6/c1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4H,1-2H3,(H4,9,10,12,13)
InChIKeyGHWBEQGSJDSRJO-UHFFFAOYSA-N
XLogP0.57
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-propan-2-ylpurine-2,6-diamine?
The IUPAC name of 9-propan-2-ylpurine-2,6-diamine (CID 23562749) is 9-propan-2-ylpurine-2,6-diamine.
What is the SMILES notation for 9-propan-2-ylpurine-2,6-diamine?
The canonical SMILES for 9-propan-2-ylpurine-2,6-diamine is CC(C)n1cnc2c(N)nc(N)nc21.
What is the InChIKey of 9-propan-2-ylpurine-2,6-diamine?
The InChIKey is GHWBEQGSJDSRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4H,1-2H3,(H4,9,10,12,13).
What are the key properties of 9-propan-2-ylpurine-2,6-diamine?
9-propan-2-ylpurine-2,6-diamine has a molecular weight of 192.23 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-ylpurine-2,6-diamine is sourced from PubChem (CID 23562749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).