9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine

C11H13IN5- — CID 149235601

IUPAC9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine
SMILESC[I-]C1C=CC(n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C11H13IN5/c1-12-7-2-3-8(4-7)17-6-16-9-10(13)14-5-15-11(9)17/h2-3,5-8H,4H2,1H3,(H2,13,14,15)/q-1
InChIKeyBCHUOGNSKYYUAN-UHFFFAOYSA-N
MW342.16 g/mol
LogP-2.00
Rot. Bonds2

About 9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine

9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine (PubChem CID 149235601) has the molecular formula C11H13IN5- and a molecular weight of 342.16 g/mol. Its IUPAC name is 9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine.

Molecular Properties

Compound Name9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine
PubChem CID149235601
Molecular FormulaC11H13IN5-
Molecular Weight342.16 g/mol
Exact Mass342.02
IUPAC Name9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine
SMILESC[I-]C1C=CC(n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C11H13IN5/c1-12-7-2-3-8(4-7)17-6-16-9-10(13)14-5-15-11(9)17/h2-3,5-8H,4H2,1H3,(H2,13,14,15)/q-1
InChIKeyBCHUOGNSKYYUAN-UHFFFAOYSA-N
XLogP-2.00
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 5-2.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile
CID 22985708
9-[(4R)-4-azidocyclopent-2-en-1-yl]purin-6-amine
CID 174354464
9-[(1S,4R)-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-yl]purin-6-amine
CID 10827148
4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol
CID 19047346
9-cyclopent-2-en-1-ylpurin-6-amine
CID 15673657
methyl 2-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetate
CID 20779356
2-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxyacetic acid
CID 20779328
diazanium;9-[(1R,4S)-4-(phosphonatomethoxy)cyclopent-2-en-1-yl]purin-6-amine
CID 171628949
(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol
CID 506144
[[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 21059656
[(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol
CID 15077057
9-[(1S,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]purin-6-amine
CID 57328036

Frequently Asked Questions

What is the IUPAC name of 9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine?
The IUPAC name of 9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine (CID 149235601) is 9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine.
What is the SMILES notation for 9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine?
The canonical SMILES for 9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine is C[I-]C1C=CC(n2cnc3c(N)ncnc32)C1.
What is the InChIKey of 9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine?
The InChIKey is BCHUOGNSKYYUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN5/c1-12-7-2-3-8(4-7)17-6-16-9-10(13)14-5-15-11(9)17/h2-3,5-8H,4H2,1H3,(H2,13,14,15)/q-1.
What are the key properties of 9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine?
9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine has a molecular weight of 342.16 g/mol, XLogP of -2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine is sourced from PubChem (CID 149235601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).