8-(1-aminopropyl)-7H-purin-6-amine

C8H12N6 — CID 114607892

IUPAC8-(1-aminopropyl)-7H-purin-6-amine
SMILESCCC(N)c1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C8H12N6/c1-2-4(9)7-13-5-6(10)11-3-12-8(5)14-7/h3-4H,2,9H2,1H3,(H3,10,11,12,13,14)
InChIKeyLQAMNDMMVPLPOE-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.34
Rot. Bonds2

About 8-(1-aminopropyl)-7H-purin-6-amine

8-(1-aminopropyl)-7H-purin-6-amine (PubChem CID 114607892) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 8-(1-aminopropyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(1-aminopropyl)-7H-purin-6-amine
PubChem CID114607892
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name8-(1-aminopropyl)-7H-purin-6-amine
SMILESCCC(N)c1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C8H12N6/c1-2-4(9)7-13-5-6(10)11-3-12-8(5)14-7/h3-4H,2,9H2,1H3,(H3,10,11,12,13,14)
InChIKeyLQAMNDMMVPLPOE-UHFFFAOYSA-N
XLogP0.34
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1-aminopropyl)-7H-purin-6-amine?
The IUPAC name of 8-(1-aminopropyl)-7H-purin-6-amine (CID 114607892) is 8-(1-aminopropyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(1-aminopropyl)-7H-purin-6-amine?
The canonical SMILES for 8-(1-aminopropyl)-7H-purin-6-amine is CCC(N)c1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 8-(1-aminopropyl)-7H-purin-6-amine?
The InChIKey is LQAMNDMMVPLPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-2-4(9)7-13-5-6(10)11-3-12-8(5)14-7/h3-4H,2,9H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 8-(1-aminopropyl)-7H-purin-6-amine?
8-(1-aminopropyl)-7H-purin-6-amine has a molecular weight of 192.23 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminopropyl)-7H-purin-6-amine is sourced from PubChem (CID 114607892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).