[5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol

C15H17N5O3 — CID 126651161

IUPAC[5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ncnc3c2ncn3C2CCCO2)o1
InChIInChI=1S/C15H17N5O3/c21-7-11-4-3-10(23-11)6-16-14-13-15(18-8-17-14)20(9-19-13)12-2-1-5-22-12/h3-4,8-9,12,21H,1-2,5-7H2,(H,16,17,18)
InChIKeyVMUPICQOWVXHSP-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.83
Rot. Bonds5

About [5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol

[5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol (PubChem CID 126651161) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is [5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol
PubChem CID126651161
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name[5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ncnc3c2ncn3C2CCCO2)o1
InChIInChI=1S/C15H17N5O3/c21-7-11-4-3-10(23-11)6-16-14-13-15(18-8-17-14)20(9-19-13)12-2-1-5-22-12/h3-4,8-9,12,21H,1-2,5-7H2,(H,16,17,18)
InChIKeyVMUPICQOWVXHSP-UHFFFAOYSA-N
XLogP1.83
TPSA98.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol (CID 126651161) is [5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol is OCc1ccc(CNc2ncnc3c2ncn3C2CCCO2)o1.
What is the InChIKey of [5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol?
The InChIKey is VMUPICQOWVXHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-7-11-4-3-10(23-11)6-16-14-13-15(18-8-17-14)20(9-19-13)12-2-1-5-22-12/h3-4,8-9,12,21H,1-2,5-7H2,(H,16,17,18).
What are the key properties of [5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol?
[5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol has a molecular weight of 315.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 126651161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).