5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione

C9H15N3O3 — CID 69286295

IUPAC5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione
SMILESCCC(C)(C)C1(N)C(=O)NC(=O)NC1=O
InChIInChI=1S/C9H15N3O3/c1-4-8(2,3)9(10)5(13)11-7(15)12-6(9)14/h4,10H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyHATCZFGZPYRUBC-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.51
Rot. Bonds2

About 5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione

5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 69286295) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione
PubChem CID69286295
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione
SMILESCCC(C)(C)C1(N)C(=O)NC(=O)NC1=O
InChIInChI=1S/C9H15N3O3/c1-4-8(2,3)9(10)5(13)11-7(15)12-6(9)14/h4,10H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyHATCZFGZPYRUBC-UHFFFAOYSA-N
XLogP-0.51
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione (CID 69286295) is 5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione is CCC(C)(C)C1(N)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is HATCZFGZPYRUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-4-8(2,3)9(10)5(13)11-7(15)12-6(9)14/h4,10H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of 5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione?
5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 213.24 g/mol, XLogP of -0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(2-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 69286295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).