5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde

C11H9N5O2 — CID 169449400

IUPAC5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(CNc2ncnc3nc[nH]c23)o1
InChIInChI=1S/C11H9N5O2/c17-4-8-2-1-7(18-8)3-12-10-9-11(14-5-13-9)16-6-15-10/h1-2,4-6H,3H2,(H2,12,13,14,15,16)
InChIKeyHHDIUFHXSITJLC-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.37
Rot. Bonds4

About 5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde

5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde (PubChem CID 169449400) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde
PubChem CID169449400
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(CNc2ncnc3nc[nH]c23)o1
InChIInChI=1S/C11H9N5O2/c17-4-8-2-1-7(18-8)3-12-10-9-11(14-5-13-9)16-6-15-10/h1-2,4-6H,3H2,(H2,12,13,14,15,16)
InChIKeyHHDIUFHXSITJLC-UHFFFAOYSA-N
XLogP1.37
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Kinetin
CID 3830
Kinetin riboside
CID 20345
6-(furan-2-yl)-9H-purin-2-amine
CID 9834240
Furfuryladenosine
CID 3832
N-(furan-2-ylmethyl)-9-methylpurin-6-amine
CID 221107
N-[(1H-1,3-benzodiazol-2-yl)methyl]furan-2-carboxamide
CID 659559
2-chloro-N-((furan-2-yl)methyl)-7H-purin-6-amine
CID 5037694
6-(furan-2-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538801
N-[2-(1H-benzimidazol-2-ylmethylamino)-2-keto-ethyl]-2-furamide
CID 17417192
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]furan-2-carboxamide
CID 653218
8-(Furan-2-yl)-2-oct-1-ynyl-9-prop-2-ynylpurin-6-amine
CID 57344114
N-(3H-benzimidazol-5-yl)-2-furancarboxamide
CID 645180

Frequently Asked Questions

What is the IUPAC name of 5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde (CID 169449400) is 5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde is O=Cc1ccc(CNc2ncnc3nc[nH]c23)o1.
What is the InChIKey of 5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde?
The InChIKey is HHDIUFHXSITJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c17-4-8-2-1-7(18-8)3-12-10-9-11(14-5-13-9)16-6-15-10/h1-2,4-6H,3H2,(H2,12,13,14,15,16).
What are the key properties of 5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde?
5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde has a molecular weight of 243.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7H-purin-6-ylamino)methyl]furan-2-carbaldehyde is sourced from PubChem (CID 169449400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).