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

C11H18N6O2 — CID 178006644

IUPAC[5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol
SMILESCNc1nc(N)nc2c1NCN2C1CCC(CO)O1
InChIInChI=1S/C11H18N6O2/c1-13-9-8-10(16-11(12)15-9)17(5-14-8)7-3-2-6(4-18)19-7/h6-7,14,18H,2-5H2,1H3,(H3,12,13,15,16)
InChIKeyUMETZOQPCDKYGQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.21
Rot. Bonds3

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

[5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol (PubChem CID 178006644) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is [5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol
PubChem CID178006644
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name[5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol
SMILESCNc1nc(N)nc2c1NCN2C1CCC(CO)O1
InChIInChI=1S/C11H18N6O2/c1-13-9-8-10(16-11(12)15-9)17(5-14-8)7-3-2-6(4-18)19-7/h6-7,14,18H,2-5H2,1H3,(H3,12,13,15,16)
InChIKeyUMETZOQPCDKYGQ-UHFFFAOYSA-N
XLogP-0.21
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol?
The IUPAC name of [5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol (CID 178006644) is [5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol?
The canonical SMILES for [5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol is CNc1nc(N)nc2c1NCN2C1CCC(CO)O1.
What is the InChIKey of [5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol?
The InChIKey is UMETZOQPCDKYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-13-9-8-10(16-11(12)15-9)17(5-14-8)7-3-2-6(4-18)19-7/h6-7,14,18H,2-5H2,1H3,(H3,12,13,15,16).
What are the key properties of [5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol?
[5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol has a molecular weight of 266.30 g/mol, XLogP of -0.21, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-amino-6-(methylamino)-7,8-dihydropurin-9-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 178006644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).