6-(ethylideneamino)-7H-purin-2-amine

C7H8N6 — CID 174743190

IUPAC6-(ethylideneamino)-7H-purin-2-amine
SMILESC/C=N/c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C7H8N6/c1-2-9-5-4-6(11-3-10-4)13-7(8)12-5/h2-3H,1H3,(H3,8,10,11,12,13)/b9-2+
InChIKeyUXMCAUUQGUNWAQ-XNWCZRBMSA-N
MW176.18 g/mol
LogP0.66
Rot. Bonds1

About 6-(ethylideneamino)-7H-purin-2-amine

6-(ethylideneamino)-7H-purin-2-amine (PubChem CID 174743190) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 6-(ethylideneamino)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(ethylideneamino)-7H-purin-2-amine
PubChem CID174743190
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name6-(ethylideneamino)-7H-purin-2-amine
SMILESC/C=N/c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C7H8N6/c1-2-9-5-4-6(11-3-10-4)13-7(8)12-5/h2-3H,1H3,(H3,8,10,11,12,13)/b9-2+
InChIKeyUXMCAUUQGUNWAQ-XNWCZRBMSA-N
XLogP0.66
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide
CID 91192288
6-(1-amino-2-methylpropyl)-7H-purin-2-amine
CID 174749198
6-(3-methylbut-2-enyl)-7H-purin-2-amine
CID 67252826
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
6-N-fluoro-7H-purine-2,6-diamine
CID 143836083
(2-amino-7H-purin-6-yl)methanol
CID 11593490
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-azido-7H-purin-2-amine;pyrrolidin-2-one
CID 19757679
6-(1H-imidazol-2-yl)-7H-purin-2-amine
CID 69250570
6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine
CID 118699160
6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine
CID 114788402
6-(3-methylpyrazol-1-yl)-7H-purin-2-amine
CID 114786706

Frequently Asked Questions

What is the IUPAC name of 6-(ethylideneamino)-7H-purin-2-amine?
The IUPAC name of 6-(ethylideneamino)-7H-purin-2-amine (CID 174743190) is 6-(ethylideneamino)-7H-purin-2-amine.
What is the SMILES notation for 6-(ethylideneamino)-7H-purin-2-amine?
The canonical SMILES for 6-(ethylideneamino)-7H-purin-2-amine is C/C=N/c1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-(ethylideneamino)-7H-purin-2-amine?
The InChIKey is UXMCAUUQGUNWAQ-XNWCZRBMSA-N. The full InChI is InChI=1S/C7H8N6/c1-2-9-5-4-6(11-3-10-4)13-7(8)12-5/h2-3H,1H3,(H3,8,10,11,12,13)/b9-2+.
What are the key properties of 6-(ethylideneamino)-7H-purin-2-amine?
6-(ethylideneamino)-7H-purin-2-amine has a molecular weight of 176.18 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylideneamino)-7H-purin-2-amine is sourced from PubChem (CID 174743190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).