6-tert-butyl-1,3-diazinane-2,4-dione

C8H14N2O2 — CID 78207120

IUPAC6-tert-butyl-1,3-diazinane-2,4-dione
SMILESCC(C)(C)C1CC(=O)NC(=O)N1
InChIInChI=1S/C8H14N2O2/c1-8(2,3)5-4-6(11)10-7(12)9-5/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChIKeyRJOHBHBYZMQMNV-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.63
Rot. Bonds

About 6-tert-butyl-1,3-diazinane-2,4-dione

6-tert-butyl-1,3-diazinane-2,4-dione (PubChem CID 78207120) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 6-tert-butyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-tert-butyl-1,3-diazinane-2,4-dione
PubChem CID78207120
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name6-tert-butyl-1,3-diazinane-2,4-dione
SMILESCC(C)(C)C1CC(=O)NC(=O)N1
InChIInChI=1S/C8H14N2O2/c1-8(2,3)5-4-6(11)10-7(12)9-5/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChIKeyRJOHBHBYZMQMNV-UHFFFAOYSA-N
XLogP0.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-6-methyl-1,3-diazinane-2,4-dione
CID 6951747
6-amino-1,3-diazinane-2,4-dione
CID 20811425
tert-butyl 2,7-dioxo-1,3-diazepane-4-carboxylate
CID 170452721
(6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione
CID 166510821
methyl 2,6-dioxo-1,3-diazinane-4-carboxylate
CID 574666
4-(4-tert-butylcyclohexyl)azetidin-2-one
CID 104576003
2,6-dioxo-1,3-diazinane-4-carbothioic S-acid
CID 88617263
2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc
CID 76549402
potassium 2,6-dioxo-1,3-diazinane-4-carboxylate
CID 45048888
7-tert-butyl-1-azaspiro[3.5]nonan-2-one
CID 64663866
magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate)
CID 122130903
(6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione
CID 138016793

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-tert-butyl-1,3-diazinane-2,4-dione (CID 78207120) is 6-tert-butyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-tert-butyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-tert-butyl-1,3-diazinane-2,4-dione is CC(C)(C)C1CC(=O)NC(=O)N1.
What is the InChIKey of 6-tert-butyl-1,3-diazinane-2,4-dione?
The InChIKey is RJOHBHBYZMQMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(2,3)5-4-6(11)10-7(12)9-5/h5H,4H2,1-3H3,(H2,9,10,11,12).
What are the key properties of 6-tert-butyl-1,3-diazinane-2,4-dione?
6-tert-butyl-1,3-diazinane-2,4-dione has a molecular weight of 170.21 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78207120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).