6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione

C8H9N5O5 — CID 159488382

IUPAC6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione
SMILESC=C1CC(=O)NC(=O)N1.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H6N2O2.C3H3N3O3/c1-3-2-4(8)7-5(9)6-3;7-1-4-2(8)6-3(9)5-1/h1-2H2,(H2,6,7,8,9);(H3,4,5,6,7,8,9)
InChIKeyLXWHGCKJKGITPT-UHFFFAOYSA-N
MW255.19 g/mol
LogP-2.52
Rot. Bonds

About 6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione

6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione (PubChem CID 159488382) has the molecular formula C8H9N5O5 and a molecular weight of 255.19 g/mol. Its IUPAC name is 6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione
PubChem CID159488382
Molecular FormulaC8H9N5O5
Molecular Weight255.19 g/mol
Exact Mass255.06
IUPAC Name6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione
SMILESC=C1CC(=O)NC(=O)N1.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H6N2O2.C3H3N3O3/c1-3-2-4(8)7-5(9)6-3;7-1-4-2(8)6-3(9)5-1/h1-2H2,(H2,6,7,8,9);(H3,4,5,6,7,8,9)
InChIKeyLXWHGCKJKGITPT-UHFFFAOYSA-N
XLogP-2.52
TPSA156.78 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 5-2.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methyleneuracil
CID 18673390
Ethane;5-methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 143251897
6-Methylidene-1,3-diazinane-2,4-dione;piperazine
CID 159527951
1,3-Dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 160554598
Copper(1+);6-methylidenepyrimidin-3-ide-2,4-dione;pyrimidin-3-ide-2,4,6-trione;dihydrate
CID 161697386

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione (CID 159488382) is 6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione is C=C1CC(=O)NC(=O)N1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione?
The InChIKey is LXWHGCKJKGITPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.C3H3N3O3/c1-3-2-4(8)7-5(9)6-3;7-1-4-2(8)6-3(9)5-1/h1-2H2,(H2,6,7,8,9);(H3,4,5,6,7,8,9).
What are the key properties of 6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione?
6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione has a molecular weight of 255.19 g/mol, XLogP of -2.52, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 159488382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).