5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride

C8H14ClN3O3 — CID 66811245

IUPAC5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride
SMILESCC(C)N1C(=O)NC(=O)C(C)(N)C1=O.Cl
InChIInChI=1S/C8H13N3O3.ClH/c1-4(2)11-6(13)8(3,9)5(12)10-7(11)14;/h4H,9H2,1-3H3,(H,10,12,14);1H
InChIKeySLNLUWFBOWNZPK-UHFFFAOYSA-N
MW235.67 g/mol
LogP-0.39
Rot. Bonds1

About 5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride

5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride (PubChem CID 66811245) has the molecular formula C8H14ClN3O3 and a molecular weight of 235.67 g/mol. Its IUPAC name is 5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride.

Molecular Properties

Compound Name5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride
PubChem CID66811245
Molecular FormulaC8H14ClN3O3
Molecular Weight235.67 g/mol
Exact Mass235.07
IUPAC Name5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride
SMILESCC(C)N1C(=O)NC(=O)C(C)(N)C1=O.Cl
InChIInChI=1S/C8H13N3O3.ClH/c1-4(2)11-6(13)8(3,9)5(12)10-7(11)14;/h4H,9H2,1-3H3,(H,10,12,14);1H
InChIKeySLNLUWFBOWNZPK-UHFFFAOYSA-N
XLogP-0.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
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-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride?
The IUPAC name of 5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride (CID 66811245) is 5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride.
What is the SMILES notation for 5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride?
The canonical SMILES for 5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride is CC(C)N1C(=O)NC(=O)C(C)(N)C1=O.Cl.
What is the InChIKey of 5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride?
The InChIKey is SLNLUWFBOWNZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3.ClH/c1-4(2)11-6(13)8(3,9)5(12)10-7(11)14;/h4H,9H2,1-3H3,(H,10,12,14);1H.
What are the key properties of 5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride?
5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride has a molecular weight of 235.67 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-methyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione;hydrochloride is sourced from PubChem (CID 66811245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).