[5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol

C11H17N5O3 — CID 137401197

IUPAC[5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol
SMILESCOc1nc(N)nc2c1NCN2C1CCC(CO)O1
InChIInChI=1S/C11H17N5O3/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)7-3-2-6(4-17)19-7/h6-7,13,17H,2-5H2,1H3,(H2,12,14,15)
InChIKeyVGOHKDPOXSSXTF-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.25
Rot. Bonds3

About [5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol

[5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol (PubChem CID 137401197) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is [5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol
PubChem CID137401197
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name[5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol
SMILESCOc1nc(N)nc2c1NCN2C1CCC(CO)O1
InChIInChI=1S/C11H17N5O3/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)7-3-2-6(4-17)19-7/h6-7,13,17H,2-5H2,1H3,(H2,12,14,15)
InChIKeyVGOHKDPOXSSXTF-UHFFFAOYSA-N
XLogP-0.25
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol?
The IUPAC name of [5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol (CID 137401197) is [5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol?
The canonical SMILES for [5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol is COc1nc(N)nc2c1NCN2C1CCC(CO)O1.
What is the InChIKey of [5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol?
The InChIKey is VGOHKDPOXSSXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)7-3-2-6(4-17)19-7/h6-7,13,17H,2-5H2,1H3,(H2,12,14,15).
What are the key properties of [5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol?
[5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol has a molecular weight of 267.29 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-6-methoxy-7,8-dihydropurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 137401197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).