6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine

C8H6N4O — CID 11579205

IUPAC6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine
SMILESC(=C1/CO1)\c1ncnc2nc[nH]c12
InChIInChI=1S/C8H6N4O/c1(5-2-13-5)6-7-8(11-3-9-6)12-4-10-7/h1,3-4H,2H2,(H,9,10,11,12)/b5-1-
InChIKeyOOFYOQJQSRVGFV-KTAJNNJTSA-N
MW174.16 g/mol
LogP0.72
Rot. Bonds1

About 6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine

6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine (PubChem CID 11579205) has the molecular formula C8H6N4O and a molecular weight of 174.16 g/mol. Its IUPAC name is 6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine.

Molecular Properties

Compound Name6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine
PubChem CID11579205
Molecular FormulaC8H6N4O
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine
SMILESC(=C1/CO1)\c1ncnc2nc[nH]c12
InChIInChI=1S/C8H6N4O/c1(5-2-13-5)6-7-8(11-3-9-6)12-4-10-7/h1,3-4H,2H2,(H,9,10,11,12)/b5-1-
InChIKeyOOFYOQJQSRVGFV-KTAJNNJTSA-N
XLogP0.72
TPSA66.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-(7H-purin-6-ylmethylidene)hydroxylamine
CID 137012777
4-[2-(7H-purin-6-yl)ethenyl]morpholine
CID 71424129
6-chloro-7H-purine
CID 5359277
6-chloro-7H-purine
CID 53349102
CID 67796265
CID 67796265
7H-purin-6-amine;hydrochloride
CID 169432832
(7H-purin-6-ylmethylideneamino)thiourea
CID 5272201
(2E,4E)-2-methyl-5-(7H-purin-6-yl)penta-2,4-dienoic acid
CID 100923821
6-iodo-7H-purine;oxolane
CID 87739519
1-(7H-purin-6-yl)ethanol
CID 18670461
N,N-bis(trimethylsilyl)-7H-purin-6-amine
CID 19910051
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine?
The IUPAC name of 6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine (CID 11579205) is 6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine.
What is the SMILES notation for 6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine?
The canonical SMILES for 6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine is C(=C1/CO1)\c1ncnc2nc[nH]c12.
What is the InChIKey of 6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine?
The InChIKey is OOFYOQJQSRVGFV-KTAJNNJTSA-N. The full InChI is InChI=1S/C8H6N4O/c1(5-2-13-5)6-7-8(11-3-9-6)12-4-10-7/h1,3-4H,2H2,(H,9,10,11,12)/b5-1-.
What are the key properties of 6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine?
6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine has a molecular weight of 174.16 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-oxiran-2-ylidenemethyl]-7H-purine is sourced from PubChem (CID 11579205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).