[5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol

C12H13N5O2 — CID 134339601

IUPAC[5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol
SMILESCc1nc2ncnc(NCc3ccc(CO)o3)c2[nH]1
InChIInChI=1S/C12H13N5O2/c1-7-16-10-11(14-6-15-12(10)17-7)13-4-8-2-3-9(5-18)19-8/h2-3,6,18H,4-5H2,1H3,(H2,13,14,15,16,17)
InChIKeyXDVBSNSEMYFAFO-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.36
Rot. Bonds4

About [5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol

[5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol (PubChem CID 134339601) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is [5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol
PubChem CID134339601
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name[5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol
SMILESCc1nc2ncnc(NCc3ccc(CO)o3)c2[nH]1
InChIInChI=1S/C12H13N5O2/c1-7-16-10-11(14-6-15-12(10)17-7)13-4-8-2-3-9(5-18)19-8/h2-3,6,18H,4-5H2,1H3,(H2,13,14,15,16,17)
InChIKeyXDVBSNSEMYFAFO-UHFFFAOYSA-N
XLogP1.36
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol (CID 134339601) is [5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol is Cc1nc2ncnc(NCc3ccc(CO)o3)c2[nH]1.
What is the InChIKey of [5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol?
The InChIKey is XDVBSNSEMYFAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7-16-10-11(14-6-15-12(10)17-7)13-4-8-2-3-9(5-18)19-8/h2-3,6,18H,4-5H2,1H3,(H2,13,14,15,16,17).
What are the key properties of [5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol?
[5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol has a molecular weight of 259.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 134339601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).