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

C7H12N2O4 — CID 102238626

IUPAC(5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)N(C)[C@H](O)[C@](C)(O)C1=O
InChIInChI=1S/C7H12N2O4/c1-7(13)4(10)8(2)6(12)9(3)5(7)11/h4,10,13H,1-3H3/t4-,7+/m1/s1
InChIKeyJJKIAXWKABADES-FBCQKBJTSA-N
MW188.18 g/mol
LogP-1.42
Rot. Bonds

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

(5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione (PubChem CID 102238626) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione
PubChem CID102238626
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)N(C)[C@H](O)[C@](C)(O)C1=O
InChIInChI=1S/C7H12N2O4/c1-7(13)4(10)8(2)6(12)9(3)5(7)11/h4,10,13H,1-3H3/t4-,7+/m1/s1
InChIKeyJJKIAXWKABADES-FBCQKBJTSA-N
XLogP-1.42
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-1,3,5,5-tetramethyl-1,3-diazinane-2,4-dione
CID 135040297
(5S,6S)-6-hydroxy-1,3,5-trimethyl-5-nitro-1,3-diazinane-2,4-dione
CID 7333015
5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 1201402
6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione
CID 130409702
(5S)-5-hydroxy-1-methylimidazolidine-2,4-dione
CID 10057538
8-hydroxy-2,4,8-trimethyl-5-sulfanylidene-2,4-diazabicyclo[4.2.0]octan-3-one
CID 13011277
2,4,7,7,8,8-hexamethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione
CID 23044137
6-hydroxy-1,5,5-trimethylpiperidin-2-one
CID 54231339
(4aS,7R,7aR)-7,7a-dihydroxy-1,3,4a,7-tetramethyl-5,6-dihydrocyclopenta[d]pyrimidine-2,4-dione
CID 132534504
(4aR,5Z,7aS)-5-(bromomethylidene)-1,3,4a-trimethyl-7aH-furo[2,3-d]pyrimidine-2,4-dione
CID 11033553
(1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione
CID 102466386
2-(2-hydroxy-1,3,5-trimethyl-4,6-dioxo-1,3-diazinan-5-yl)-2-oxoacetic acid
CID 166696616

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of (5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione (CID 102238626) is (5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione is CN1C(=O)N(C)[C@H](O)[C@](C)(O)C1=O.
What is the InChIKey of (5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione?
The InChIKey is JJKIAXWKABADES-FBCQKBJTSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-7(13)4(10)8(2)6(12)9(3)5(7)11/h4,10,13H,1-3H3/t4-,7+/m1/s1.
What are the key properties of (5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione?
(5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione has a molecular weight of 188.18 g/mol, XLogP of -1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 102238626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).