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

C11H11N5O2 — CID 78318512

IUPAC[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ncnc3nc[nH]c23)o1
InChIInChI=1S/C11H11N5O2/c17-4-8-2-1-7(18-8)3-12-10-9-11(14-5-13-9)16-6-15-10/h1-2,5-6,17H,3-4H2,(H2,12,13,14,15,16)
InChIKeyLXDLNCJAJYNFGK-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.05
Rot. Bonds4

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

[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol (PubChem CID 78318512) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is [5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol
PubChem CID78318512
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ncnc3nc[nH]c23)o1
InChIInChI=1S/C11H11N5O2/c17-4-8-2-1-7(18-8)3-12-10-9-11(14-5-13-9)16-6-15-10/h1-2,5-6,17H,3-4H2,(H2,12,13,14,15,16)
InChIKeyLXDLNCJAJYNFGK-UHFFFAOYSA-N
XLogP1.05
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol (CID 78318512) is [5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol is OCc1ccc(CNc2ncnc3nc[nH]c23)o1.
What is the InChIKey of [5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol?
The InChIKey is LXDLNCJAJYNFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c17-4-8-2-1-7(18-8)3-12-10-9-11(14-5-13-9)16-6-15-10/h1-2,5-6,17H,3-4H2,(H2,12,13,14,15,16).
What are the key properties of [5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol?
[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol has a molecular weight of 245.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 78318512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).