5-aminooxan-3-ol;methanol;7H-purin-6-amine

C11H20N6O3 — CID 176998987

IUPAC5-aminooxan-3-ol;methanol;7H-purin-6-amine
SMILESCO.NC1COCC(O)C1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C5H5N5.C5H11NO2.CH4O/c6-4-3-5(9-1-7-3)10-2-8-4;6-4-1-5(7)3-8-2-4;1-2/h1-2H,(H3,6,7,8,9,10);4-5,7H,1-3,6H2;2H,1H3
InChIKeyRYODWWJQMUMEHM-UHFFFAOYSA-N
MW284.32 g/mol
LogP-1.36
Rot. Bonds

About 5-aminooxan-3-ol;methanol;7H-purin-6-amine

5-aminooxan-3-ol;methanol;7H-purin-6-amine (PubChem CID 176998987) has the molecular formula C11H20N6O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-aminooxan-3-ol;methanol;7H-purin-6-amine.

Molecular Properties

Compound Name5-aminooxan-3-ol;methanol;7H-purin-6-amine
PubChem CID176998987
Molecular FormulaC11H20N6O3
Molecular Weight284.32 g/mol
Exact Mass284.16
IUPAC Name5-aminooxan-3-ol;methanol;7H-purin-6-amine
SMILESCO.NC1COCC(O)C1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C5H5N5.C5H11NO2.CH4O/c6-4-3-5(9-1-7-3)10-2-8-4;6-4-1-5(7)3-8-2-4;1-2/h1-2H,(H3,6,7,8,9,10);4-5,7H,1-3,6H2;2H,1H3
InChIKeyRYODWWJQMUMEHM-UHFFFAOYSA-N
XLogP-1.36
TPSA156.19 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-1.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

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bis(7H-purin-6-amine);sulfate
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CID 141436047
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CID 174836451
benzamide;7H-purin-6-amine
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Frequently Asked Questions

What is the IUPAC name of 5-aminooxan-3-ol;methanol;7H-purin-6-amine?
The IUPAC name of 5-aminooxan-3-ol;methanol;7H-purin-6-amine (CID 176998987) is 5-aminooxan-3-ol;methanol;7H-purin-6-amine.
What is the SMILES notation for 5-aminooxan-3-ol;methanol;7H-purin-6-amine?
The canonical SMILES for 5-aminooxan-3-ol;methanol;7H-purin-6-amine is CO.NC1COCC(O)C1.Nc1ncnc2nc[nH]c12.
What is the InChIKey of 5-aminooxan-3-ol;methanol;7H-purin-6-amine?
The InChIKey is RYODWWJQMUMEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5.C5H11NO2.CH4O/c6-4-3-5(9-1-7-3)10-2-8-4;6-4-1-5(7)3-8-2-4;1-2/h1-2H,(H3,6,7,8,9,10);4-5,7H,1-3,6H2;2H,1H3.
What are the key properties of 5-aminooxan-3-ol;methanol;7H-purin-6-amine?
5-aminooxan-3-ol;methanol;7H-purin-6-amine has a molecular weight of 284.32 g/mol, XLogP of -1.36, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminooxan-3-ol;methanol;7H-purin-6-amine is sourced from PubChem (CID 176998987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).