[(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol

C14H16N5O2+ — CID 123527449

IUPAC[(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1nc(-c2ccco2)c2[nH]c[nH+]c2n1
InChIInChI=1S/C14H15N5O2/c20-7-9-3-1-5-19(9)14-17-11(10-4-2-6-21-10)12-13(18-14)16-8-15-12/h2,4,6,8-9,20H,1,3,5,7H2,(H,15,16,17,18)/p+1/t9-/m1/s1
InChIKeyXDKHXKXEVNAPBG-SECBINFHSA-O
MW286.31 g/mol
LogP0.99
Rot. Bonds3

About [(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 123527449) has the molecular formula C14H16N5O2+ and a molecular weight of 286.31 g/mol. Its IUPAC name is [(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol
PubChem CID123527449
Molecular FormulaC14H16N5O2+
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Name[(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1nc(-c2ccco2)c2[nH]c[nH+]c2n1
InChIInChI=1S/C14H15N5O2/c20-7-9-3-1-5-19(9)14-17-11(10-4-2-6-21-10)12-13(18-14)16-8-15-12/h2,4,6,8-9,20H,1,3,5,7H2,(H,15,16,17,18)/p+1/t9-/m1/s1
InChIKeyXDKHXKXEVNAPBG-SECBINFHSA-O
XLogP0.99
TPSA92.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Kinetin
CID 3830
Kinetin riboside
CID 20345
6-(furan-2-yl)-9H-purin-2-amine
CID 9834240
9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
6-(2-Furyl)-9-(3-nitrobenzyl)-9H-purine-2-amine
CID 44449695
6-(Furan-2-yl)-9-[(4-nitrophenyl)methyl]purin-2-amine
CID 44449696
2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carboxamide
CID 9949541
2-amino-6-(furan-2-yl)-N-[(4-methylphenyl)methyl]purine-9-carboxamide
CID 10269215
2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide
CID 10269216
2-amino-N-[(4-fluorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
CID 10269418

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol (CID 123527449) is [(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1nc(-c2ccco2)c2[nH]c[nH+]c2n1.
What is the InChIKey of [(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is XDKHXKXEVNAPBG-SECBINFHSA-O. The full InChI is InChI=1S/C14H15N5O2/c20-7-9-3-1-5-19(9)14-17-11(10-4-2-6-21-10)12-13(18-14)16-8-15-12/h2,4,6,8-9,20H,1,3,5,7H2,(H,15,16,17,18)/p+1/t9-/m1/s1.
What are the key properties of [(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 286.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 123527449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).