9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine

C18H12N18 — CID 102192385

IUPAC9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2-c1nc(-n2cnc3c(N)ncnc32)nc(-n2cnc3c(N)ncnc32)n1
InChIInChI=1S/C18H12N18/c19-10-7-13(25-1-22-10)34(4-28-7)16-31-17(35-5-29-8-11(20)23-2-26-14(8)35)33-18(32-16)36-6-30-9-12(21)24-3-27-15(9)36/h1-6H,(H2,19,22,25)(H2,20,23,26)(H2,21,24,27)
InChIKeyOZQQXMRUOGDXHE-UHFFFAOYSA-N
MW480.42 g/mol
LogP-1.00
Rot. Bonds3

About 9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine

9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine (PubChem CID 102192385) has the molecular formula C18H12N18 and a molecular weight of 480.42 g/mol. Its IUPAC name is 9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine
PubChem CID102192385
Molecular FormulaC18H12N18
Molecular Weight480.42 g/mol
Exact Mass480.15
IUPAC Name9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2-c1nc(-n2cnc3c(N)ncnc32)nc(-n2cnc3c(N)ncnc32)n1
InChIInChI=1S/C18H12N18/c19-10-7-13(25-1-22-10)34(4-28-7)16-31-17(35-5-29-8-11(20)23-2-26-14(8)35)33-18(32-16)36-6-30-9-12(21)24-3-27-15(9)36/h1-6H,(H2,19,22,25)(H2,20,23,26)(H2,21,24,27)
InChIKeyOZQQXMRUOGDXHE-UHFFFAOYSA-N
XLogP-1.00
TPSA247.53 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.42
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine with MolForge

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Related Compounds

9-thiophen-3-ylpurin-6-amine
CID 125496047
(1R,2R,3S)-4-(6-aminopurin-9-yl)cyclopent-4-ene-1,2,3-triol
CID 11253697
9-phosphorosopurin-6-amine
CID 57110561
8-bromo-9-methylpurin-6-amine
CID 822296
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282
(6-aminopurin-9-yl) formate
CID 57250144
ethane;9-(4,5,5-trimethylcyclopenten-1-yl)purin-6-amine
CID 143869511
1-(6-aminopurin-9-yl)ethanone
CID 56662952
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
9-(3-chloro-4-methoxyphenyl)purin-6-amine
CID 171806311
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097
(6-aminopurin-9-yl) acetate
CID 57119110

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine?
The IUPAC name of 9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine (CID 102192385) is 9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine.
What is the SMILES notation for 9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine?
The canonical SMILES for 9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine is Nc1ncnc2c1ncn2-c1nc(-n2cnc3c(N)ncnc32)nc(-n2cnc3c(N)ncnc32)n1.
What is the InChIKey of 9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine?
The InChIKey is OZQQXMRUOGDXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N18/c19-10-7-13(25-1-22-10)34(4-28-7)16-31-17(35-5-29-8-11(20)23-2-26-14(8)35)33-18(32-16)36-6-30-9-12(21)24-3-27-15(9)36/h1-6H,(H2,19,22,25)(H2,20,23,26)(H2,21,24,27).
What are the key properties of 9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine?
9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine has a molecular weight of 480.42 g/mol, XLogP of -1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine is sourced from PubChem (CID 102192385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).