(5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione

C5H8N2O4 — CID 131118895

IUPAC(5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)NC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H8N2O4/c1-7-4(10)2(8)3(9)6-5(7)11/h2,4,8,10H,1H3,(H,6,9,11)/t2-,4-/m1/s1
InChIKeyITGNRVBXBXJSJC-VVJJHMBFSA-N
MW160.13 g/mol
LogP-2.15
Rot. Bonds

About (5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione

(5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione (PubChem CID 131118895) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is (5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione
PubChem CID131118895
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name(5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)NC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H8N2O4/c1-7-4(10)2(8)3(9)6-5(7)11/h2,4,8,10H,1H3,(H,6,9,11)/t2-,4-/m1/s1
InChIKeyITGNRVBXBXJSJC-VVJJHMBFSA-N
XLogP-2.15
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-hydroxy-1-methylimidazolidine-2,4-dione
CID 10057538
(3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione
CID 126575623
6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione
CID 76844825
5-(4-hydroxyphenyl)-1-methylimidazolidine-2,4-dione
CID 82112832
6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione;hydrate
CID 78292337
1-methyl-5-sulfanylimidazolidine-2,4-dione;propane
CID 174538671
(5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one
CID 146014533
3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione
CID 59887449
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydroxy-1,3-diazinane-2,4-dione
CID 89495305
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051
6-amino-1-methyl-5-piperidin-1-yl-1,3-diazinane-2,4-dione
CID 78277206
3-methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)-4,5-dihydropurine-2,6-dione
CID 78343046

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of (5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione (CID 131118895) is (5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione is CN1C(=O)NC(=O)[C@@H](O)[C@H]1O.
What is the InChIKey of (5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione?
The InChIKey is ITGNRVBXBXJSJC-VVJJHMBFSA-N. The full InChI is InChI=1S/C5H8N2O4/c1-7-4(10)2(8)3(9)6-5(7)11/h2,4,8,10H,1H3,(H,6,9,11)/t2-,4-/m1/s1.
What are the key properties of (5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione?
(5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione has a molecular weight of 160.13 g/mol, XLogP of -2.15, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 131118895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).