9-(1-aminoethyl)purine-2,6-diamine

C7H11N7 — CID 166965678

IUPAC9-(1-aminoethyl)purine-2,6-diamine
SMILESCC(N)n1cnc2c(N)nc(N)nc21
InChIInChI=1S/C7H11N7/c1-3(8)14-2-11-4-5(9)12-7(10)13-6(4)14/h2-3H,8H2,1H3,(H4,9,10,12,13)
InChIKeyUTAGHHJLUUEMFH-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.53
Rot. Bonds1

About 9-(1-aminoethyl)purine-2,6-diamine

9-(1-aminoethyl)purine-2,6-diamine (PubChem CID 166965678) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is 9-(1-aminoethyl)purine-2,6-diamine.

Molecular Properties

Compound Name9-(1-aminoethyl)purine-2,6-diamine
PubChem CID166965678
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name9-(1-aminoethyl)purine-2,6-diamine
SMILESCC(N)n1cnc2c(N)nc(N)nc21
InChIInChI=1S/C7H11N7/c1-3(8)14-2-11-4-5(9)12-7(10)13-6(4)14/h2-3H,8H2,1H3,(H4,9,10,12,13)
InChIKeyUTAGHHJLUUEMFH-UHFFFAOYSA-N
XLogP-0.53
TPSA121.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(1-aminoethyl)purine-2,6-diamine?
The IUPAC name of 9-(1-aminoethyl)purine-2,6-diamine (CID 166965678) is 9-(1-aminoethyl)purine-2,6-diamine.
What is the SMILES notation for 9-(1-aminoethyl)purine-2,6-diamine?
The canonical SMILES for 9-(1-aminoethyl)purine-2,6-diamine is CC(N)n1cnc2c(N)nc(N)nc21.
What is the InChIKey of 9-(1-aminoethyl)purine-2,6-diamine?
The InChIKey is UTAGHHJLUUEMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c1-3(8)14-2-11-4-5(9)12-7(10)13-6(4)14/h2-3H,8H2,1H3,(H4,9,10,12,13).
What are the key properties of 9-(1-aminoethyl)purine-2,6-diamine?
9-(1-aminoethyl)purine-2,6-diamine has a molecular weight of 193.21 g/mol, XLogP of -0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-aminoethyl)purine-2,6-diamine is sourced from PubChem (CID 166965678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).