4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid

C14H15N5O3 — CID 53237483

IUPAC4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid
SMILESO=C(O)CCCn1cnc2c(NCc3ccco3)ncnc21
InChIInChI=1S/C14H15N5O3/c20-11(21)4-1-5-19-9-18-12-13(16-8-17-14(12)19)15-7-10-3-2-6-22-10/h2-3,6,8-9H,1,4-5,7H2,(H,20,21)(H,15,16,17)
InChIKeyVSPRQLJWOCQEED-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.90
Rot. Bonds7

About 4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid

4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid (PubChem CID 53237483) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid.

Molecular Properties

Compound Name4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid
PubChem CID53237483
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid
SMILESO=C(O)CCCn1cnc2c(NCc3ccco3)ncnc21
InChIInChI=1S/C14H15N5O3/c20-11(21)4-1-5-19-9-18-12-13(16-8-17-14(12)19)15-7-10-3-2-6-22-10/h2-3,6,8-9H,1,4-5,7H2,(H,20,21)(H,15,16,17)
InChIKeyVSPRQLJWOCQEED-UHFFFAOYSA-N
XLogP1.90
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

9-(4-chlorobutyl)-N-(furan-2-ylmethyl)purin-6-amine
CID 53237481
9-(4-bromobutyl)-N-(furan-2-ylmethyl)purin-6-amine
CID 53237267
N-(furan-2-ylmethyl)-9-prop-1-en-2-ylpurin-6-amine
CID 142335220
N-benzyl-9-heptylpurin-6-amine
CID 71371736
6-chloro-4-[[6-(furan-2-ylmethylamino)purin-9-yl]methyl]chromen-2-one
CID 155811641
(2R,3R,4R,5S)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 6604676
N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431893
N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one
CID 141179189
N-(furan-2-ylmethyl)-7H-purin-6-amine;urea
CID 68661345
3-[(9-methylpurin-6-yl)amino]propanoic acid
CID 14161254
3-(6-anilinopurin-9-yl)propan-1-ol
CID 165357858
N-[9-[3-[bis(hydroxymethyl)-methylsilyl]propyl]purin-6-yl]benzamide
CID 10524145

Frequently Asked Questions

What is the IUPAC name of 4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid?
The IUPAC name of 4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid (CID 53237483) is 4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid.
What is the SMILES notation for 4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid?
The canonical SMILES for 4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid is O=C(O)CCCn1cnc2c(NCc3ccco3)ncnc21.
What is the InChIKey of 4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid?
The InChIKey is VSPRQLJWOCQEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c20-11(21)4-1-5-19-9-18-12-13(16-8-17-14(12)19)15-7-10-3-2-6-22-10/h2-3,6,8-9H,1,4-5,7H2,(H,20,21)(H,15,16,17).
What are the key properties of 4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid?
4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid has a molecular weight of 301.31 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(furan-2-ylmethylamino)purin-9-yl]butanoic acid is sourced from PubChem (CID 53237483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).