[2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol

C12H15N5O — CID 71427271

IUPAC[2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol
SMILESNc1ncnc2c1ncn2CC=C1CCC1CO
InChIInChI=1S/C12H15N5O/c13-11-10-12(15-6-14-11)17(7-16-10)4-3-8-1-2-9(8)5-18/h3,6-7,9,18H,1-2,4-5H2,(H2,13,14,15)
InChIKeySLCDRONCTWUSDF-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.74
Rot. Bonds3

About [2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol

[2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol (PubChem CID 71427271) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is [2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol.

Molecular Properties

Compound Name[2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol
PubChem CID71427271
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name[2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol
SMILESNc1ncnc2c1ncn2CC=C1CCC1CO
InChIInChI=1S/C12H15N5O/c13-11-10-12(15-6-14-11)17(7-16-10)4-3-8-1-2-9(8)5-18/h3,6-7,9,18H,1-2,4-5H2,(H2,13,14,15)
InChIKeySLCDRONCTWUSDF-UHFFFAOYSA-N
XLogP0.74
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol
CID 3001845
9-(2-methoxyiminoethyl)purin-6-amine
CID 173359043
9-(4-aminobut-2-enyl)purin-6-amine
CID 73233001
9-[(E)-4-chlorobut-2-enyl]purin-6-amine
CID 14408818
9-(2-cyclopentylethyl)purin-6-amine
CID 123505932
(E)-5-(6-aminopurin-9-yl)pent-3-en-2-one
CID 71531295
2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol
CID 14283773
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
[3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol
CID 20846249
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol
CID 23358719
(2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11507438

Frequently Asked Questions

What is the IUPAC name of [2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol?
The IUPAC name of [2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol (CID 71427271) is [2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol.
What is the SMILES notation for [2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol?
The canonical SMILES for [2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol is Nc1ncnc2c1ncn2CC=C1CCC1CO.
What is the InChIKey of [2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol?
The InChIKey is SLCDRONCTWUSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-11-10-12(15-6-14-11)17(7-16-10)4-3-8-1-2-9(8)5-18/h3,6-7,9,18H,1-2,4-5H2,(H2,13,14,15).
What are the key properties of [2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol?
[2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol has a molecular weight of 245.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol is sourced from PubChem (CID 71427271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).