(5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol

C6H14N2O3 — CID 135040331

IUPAC(5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol
SMILESCC1NNC(CO)C(O)[C@@H]1O
InChIInChI=1S/C6H14N2O3/c1-3-5(10)6(11)4(2-9)8-7-3/h3-11H,2H2,1H3/t3?,4?,5-,6?/m1/s1
InChIKeyYGQJXERJMPAZGC-SZIDTYJOSA-N
MW162.19 g/mol
LogP-2.43
Rot. Bonds1

About (5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol

(5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol (PubChem CID 135040331) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is (5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol.

Molecular Properties

Compound Name(5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol
PubChem CID135040331
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name(5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol
SMILESCC1NNC(CO)C(O)[C@@H]1O
InChIInChI=1S/C6H14N2O3/c1-3-5(10)6(11)4(2-9)8-7-3/h3-11H,2H2,1H3/t3?,4?,5-,6?/m1/s1
InChIKeyYGQJXERJMPAZGC-SZIDTYJOSA-N
XLogP-2.43
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-2.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 89290989
(4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59973652
(2R,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59658610
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 21129912
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methylpiperidine-3,4,5-triol
CID 10654879
(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 59918213
2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
CID 73001219
(3,5,6-trimethylpiperazin-2-yl)methanol
CID 164899965
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxy-5-methylpyrrolidin-3-ol
CID 118449008
(2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol
CID 10420740
(2R,3R)-2,5-dimethylpyrrolidine-3,4-diol
CID 163883112
(2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol
CID 132918961

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol?
The IUPAC name of (5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol (CID 135040331) is (5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol.
What is the SMILES notation for (5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol?
The canonical SMILES for (5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol is CC1NNC(CO)C(O)[C@@H]1O.
What is the InChIKey of (5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol?
The InChIKey is YGQJXERJMPAZGC-SZIDTYJOSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-3-5(10)6(11)4(2-9)8-7-3/h3-11H,2H2,1H3/t3?,4?,5-,6?/m1/s1.
What are the key properties of (5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol?
(5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol has a molecular weight of 162.19 g/mol, XLogP of -2.43, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(hydroxymethyl)-6-methyldiazinane-4,5-diol is sourced from PubChem (CID 135040331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).