5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid

C11H9N5O4 — CID 54295938

IUPAC5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid
SMILESNc1nc(OCc2ccc(C(=O)O)o2)c2[nH]cnc2n1
InChIInChI=1S/C11H9N5O4/c12-11-15-8-7(13-4-14-8)9(16-11)19-3-5-1-2-6(20-5)10(17)18/h1-2,4H,3H2,(H,17,18)(H3,12,13,14,15,16)
InChIKeySAUPDYLGNLZJNN-UHFFFAOYSA-N
MW275.22 g/mol
LogP0.81
Rot. Bonds4

About 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid

5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid (PubChem CID 54295938) has the molecular formula C11H9N5O4 and a molecular weight of 275.22 g/mol. Its IUPAC name is 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid
PubChem CID54295938
Molecular FormulaC11H9N5O4
Molecular Weight275.22 g/mol
Exact Mass275.07
IUPAC Name5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid
SMILESNc1nc(OCc2ccc(C(=O)O)o2)c2[nH]cnc2n1
InChIInChI=1S/C11H9N5O4/c12-11-15-8-7(13-4-14-8)9(16-11)19-3-5-1-2-6(20-5)10(17)18/h1-2,4H,3H2,(H,17,18)(H3,12,13,14,15,16)
InChIKeySAUPDYLGNLZJNN-UHFFFAOYSA-N
XLogP0.81
TPSA140.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid 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

2-Furylmethyl 3-(6-aminopurin-9-yl)-2-hydroxy-propanoate
CID 5271674
[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 55491060
5-{[6-(2,2,2-trifluoroacetamido)-9H-purin-9-yl]methyl}furan-2-carboxylic acid
CID 165938013
6-(furan-2-ylmethoxy)-7H-purin-2-amine
CID 10585590
6-(furan-2-ylmethoxy)-7H-purine
CID 18333633
6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine
CID 54242948
5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile
CID 54494792
[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol
CID 78318512
5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid
CID 78318513
N-(furan-2-ylmethyl)-7H-purin-6-amine;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 87502019
2-chloro-6-(furan-2-ylmethoxy)-7H-purine
CID 104786870
ethyl 5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylate
CID 118310072

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid (CID 54295938) is 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid is Nc1nc(OCc2ccc(C(=O)O)o2)c2[nH]cnc2n1.
What is the InChIKey of 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid?
The InChIKey is SAUPDYLGNLZJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O4/c12-11-15-8-7(13-4-14-8)9(16-11)19-3-5-1-2-6(20-5)10(17)18/h1-2,4H,3H2,(H,17,18)(H3,12,13,14,15,16).
What are the key properties of 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid?
5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid has a molecular weight of 275.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid is sourced from PubChem (CID 54295938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).