phenanthridine;7H-purin-6-amine

C18H14N6 — CID 90006324

IUPACphenanthridine;7H-purin-6-amine
SMILESNc1ncnc2nc[nH]c12.c1ccc2c(c1)cnc1ccccc12
InChIInChI=1S/C13H9N.C5H5N5/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;6-4-3-5(9-1-7-3)10-2-8-4/h1-9H;1-2H,(H3,6,7,8,9,10)
InChIKeyLVJBJNQCFJRNJT-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.32
Rot. Bonds

About phenanthridine;7H-purin-6-amine

phenanthridine;7H-purin-6-amine (PubChem CID 90006324) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is phenanthridine;7H-purin-6-amine.

Molecular Properties

Compound Namephenanthridine;7H-purin-6-amine
PubChem CID90006324
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Namephenanthridine;7H-purin-6-amine
SMILESNc1ncnc2nc[nH]c12.c1ccc2c(c1)cnc1ccccc12
InChIInChI=1S/C13H9N.C5H5N5/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;6-4-3-5(9-1-7-3)10-2-8-4/h1-9H;1-2H,(H3,6,7,8,9,10)
InChIKeyLVJBJNQCFJRNJT-UHFFFAOYSA-N
XLogP3.32
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7H-purin-6-amine;hydrochloride
CID 169432832
CID 67796265
CID 67796265
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973
phenanthridine
CID 9189
methanol;7H-purin-6-amine
CID 67194832
phenanthridine;platinum(2+)
CID 23616726
3-(7H-purin-6-ylsulfanyl)quinoxalin-2-amine
CID 102988888
4-(4-aminophenyl)aniline;7H-purin-6-amine
CID 160907606
benzamide;7H-purin-6-amine
CID 66705736
bis(7H-purin-6-amine);sulfate
CID 23616791
hydron;quinazolin-4-amine
CID 174478214
8-quinolin-4-yl-7H-purin-6-amine
CID 114608196

Frequently Asked Questions

What is the IUPAC name of phenanthridine;7H-purin-6-amine?
The IUPAC name of phenanthridine;7H-purin-6-amine (CID 90006324) is phenanthridine;7H-purin-6-amine.
What is the SMILES notation for phenanthridine;7H-purin-6-amine?
The canonical SMILES for phenanthridine;7H-purin-6-amine is Nc1ncnc2nc[nH]c12.c1ccc2c(c1)cnc1ccccc12.
What is the InChIKey of phenanthridine;7H-purin-6-amine?
The InChIKey is LVJBJNQCFJRNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.C5H5N5/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;6-4-3-5(9-1-7-3)10-2-8-4/h1-9H;1-2H,(H3,6,7,8,9,10).
What are the key properties of phenanthridine;7H-purin-6-amine?
phenanthridine;7H-purin-6-amine has a molecular weight of 314.35 g/mol, XLogP of 3.32, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthridine;7H-purin-6-amine is sourced from PubChem (CID 90006324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).