8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine

C14H14N6 — CID 114608057

IUPAC8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine
SMILESNc1ncnc2nc(C3CCNc4ccccc43)[nH]c12
InChIInChI=1S/C14H14N6/c15-12-11-14(18-7-17-12)20-13(19-11)9-5-6-16-10-4-2-1-3-8(9)10/h1-4,7,9,16H,5-6H2,(H3,15,17,18,19,20)
InChIKeyTVVKXGNKRCEDDA-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.88
Rot. Bonds1

About 8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine

8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine (PubChem CID 114608057) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine
PubChem CID114608057
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine
SMILESNc1ncnc2nc(C3CCNc4ccccc43)[nH]c12
InChIInChI=1S/C14H14N6/c15-12-11-14(18-7-17-12)20-13(19-11)9-5-6-16-10-4-2-1-3-8(9)10/h1-4,7,9,16H,5-6H2,(H3,15,17,18,19,20)
InChIKeyTVVKXGNKRCEDDA-UHFFFAOYSA-N
XLogP1.88
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine?
The IUPAC name of 8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine (CID 114608057) is 8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine.
What is the SMILES notation for 8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine?
The canonical SMILES for 8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine is Nc1ncnc2nc(C3CCNc4ccccc43)[nH]c12.
What is the InChIKey of 8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine?
The InChIKey is TVVKXGNKRCEDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c15-12-11-14(18-7-17-12)20-13(19-11)9-5-6-16-10-4-2-1-3-8(9)10/h1-4,7,9,16H,5-6H2,(H3,15,17,18,19,20).
What are the key properties of 8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine?
8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine has a molecular weight of 266.31 g/mol, XLogP of 1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine is sourced from PubChem (CID 114608057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).