4-amino-6-methyloxane-2,5-diol

C6H13NO3 — CID 5221810

IUPAC4-amino-6-methyloxane-2,5-diol
SMILESCC1OC(O)CC(N)C1O
InChIInChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3
InChIKeyBBMKQGIZNKEDOX-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.20
Rot. Bonds

About 4-amino-6-methyloxane-2,5-diol

4-amino-6-methyloxane-2,5-diol (PubChem CID 5221810) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 4-amino-6-methyloxane-2,5-diol.

Molecular Properties

Compound Name4-amino-6-methyloxane-2,5-diol
PubChem CID5221810
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name4-amino-6-methyloxane-2,5-diol
SMILESCC1OC(O)CC(N)C1O
InChIInChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3
InChIKeyBBMKQGIZNKEDOX-UHFFFAOYSA-N
XLogP-1.20
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyloxane-2,5-diol?
The IUPAC name of 4-amino-6-methyloxane-2,5-diol (CID 5221810) is 4-amino-6-methyloxane-2,5-diol.
What is the SMILES notation for 4-amino-6-methyloxane-2,5-diol?
The canonical SMILES for 4-amino-6-methyloxane-2,5-diol is CC1OC(O)CC(N)C1O.
What is the InChIKey of 4-amino-6-methyloxane-2,5-diol?
The InChIKey is BBMKQGIZNKEDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 4-amino-6-methyloxane-2,5-diol?
4-amino-6-methyloxane-2,5-diol has a molecular weight of 147.17 g/mol, XLogP of -1.20, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyloxane-2,5-diol is sourced from PubChem (CID 5221810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).