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

C14H14N6 — CID 114607890

IUPAC8-(1,2,3,4-tetrahydroisoquinolin-4-yl)-7H-purin-6-amine
SMILESNc1ncnc2nc(C3CNCc4ccccc43)[nH]c12
InChIInChI=1S/C14H14N6/c15-12-11-14(18-7-17-12)20-13(19-11)10-6-16-5-8-3-1-2-4-9(8)10/h1-4,7,10,16H,5-6H2,(H3,15,17,18,19,20)
InChIKeyJAIXPYNKOJYUDW-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.17
Rot. Bonds1

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

8-(1,2,3,4-tetrahydroisoquinolin-4-yl)-7H-purin-6-amine (PubChem CID 114607890) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 8-(1,2,3,4-tetrahydroisoquinolin-4-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(1,2,3,4-tetrahydroisoquinolin-4-yl)-7H-purin-6-amine
PubChem CID114607890
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name8-(1,2,3,4-tetrahydroisoquinolin-4-yl)-7H-purin-6-amine
SMILESNc1ncnc2nc(C3CNCc4ccccc43)[nH]c12
InChIInChI=1S/C14H14N6/c15-12-11-14(18-7-17-12)20-13(19-11)10-6-16-5-8-3-1-2-4-9(8)10/h1-4,7,10,16H,5-6H2,(H3,15,17,18,19,20)
InChIKeyJAIXPYNKOJYUDW-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7H-purin-8-yl)-1,2,3,4-tetrahydroisoquinoline
CID 114401935
8-(1,2,3,4-tetrahydroquinolin-4-yl)-7H-purin-6-amine
CID 114608057
4-(3H-imidazo[4,5-c]pyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 65263152
4-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81448504
4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroisoquinoline
CID 65263211
8-(thiolan-2-yl)-7H-purin-6-amine
CID 114608230
8-(1,1-dioxothiolan-3-yl)-7H-purin-6-amine
CID 114608252
(4R)-4-(1H-indol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 129383682
7-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 63723162
(4R)-4-(1-benzofuran-5-yl)-1,2,3,4-tetrahydroisoquinoline
CID 129394122
4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline
CID 68996719
7H-purine-6,8-diamine;dihydrochloride
CID 45264504

Frequently Asked Questions

What is the IUPAC name of 8-(1,2,3,4-tetrahydroisoquinolin-4-yl)-7H-purin-6-amine?
The IUPAC name of 8-(1,2,3,4-tetrahydroisoquinolin-4-yl)-7H-purin-6-amine (CID 114607890) is 8-(1,2,3,4-tetrahydroisoquinolin-4-yl)-7H-purin-6-amine.
What is the SMILES notation for 8-(1,2,3,4-tetrahydroisoquinolin-4-yl)-7H-purin-6-amine?
The canonical SMILES for 8-(1,2,3,4-tetrahydroisoquinolin-4-yl)-7H-purin-6-amine is Nc1ncnc2nc(C3CNCc4ccccc43)[nH]c12.
What is the InChIKey of 8-(1,2,3,4-tetrahydroisoquinolin-4-yl)-7H-purin-6-amine?
The InChIKey is JAIXPYNKOJYUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c15-12-11-14(18-7-17-12)20-13(19-11)10-6-16-5-8-3-1-2-4-9(8)10/h1-4,7,10,16H,5-6H2,(H3,15,17,18,19,20).
What are the key properties of 8-(1,2,3,4-tetrahydroisoquinolin-4-yl)-7H-purin-6-amine?
8-(1,2,3,4-tetrahydroisoquinolin-4-yl)-7H-purin-6-amine has a molecular weight of 266.31 g/mol, XLogP of 1.17, 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-tetrahydroisoquinolin-4-yl)-7H-purin-6-amine is sourced from PubChem (CID 114607890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).