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

C12H18ClN5O6 — CID 66811050

IUPAC5-amino-1-propan-2-yl-1,3-diazinane-2,4,6-trione;5-methyl-1,3-diazinane-2,4,6-trione;hydrochloride
SMILESCC(C)N1C(=O)NC(=O)C(N)C1=O.CC1C(=O)NC(=O)NC1=O.Cl
InChIInChI=1S/C7H11N3O3.C5H6N2O3.ClH/c1-3(2)10-6(12)4(8)5(11)9-7(10)13;1-2-3(8)6-5(10)7-4(2)9;/h3-4H,8H2,1-2H3,(H,9,11,13);2H,1H3,(H2,6,7,8,9,10);1H
InChIKeyWJMBILNCYCRRPB-UHFFFAOYSA-N
MW363.76 g/mol
LogP-1.79
Rot. Bonds1

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

5-amino-1-propan-2-yl-1,3-diazinane-2,4,6-trione;5-methyl-1,3-diazinane-2,4,6-trione;hydrochloride (PubChem CID 66811050) has the molecular formula C12H18ClN5O6 and a molecular weight of 363.76 g/mol. Its IUPAC name is 5-amino-1-propan-2-yl-1,3-diazinane-2,4,6-trione;5-methyl-1,3-diazinane-2,4,6-trione;hydrochloride.

Molecular Properties

Compound Name5-amino-1-propan-2-yl-1,3-diazinane-2,4,6-trione;5-methyl-1,3-diazinane-2,4,6-trione;hydrochloride
PubChem CID66811050
Molecular FormulaC12H18ClN5O6
Molecular Weight363.76 g/mol
Exact Mass363.09
IUPAC Name5-amino-1-propan-2-yl-1,3-diazinane-2,4,6-trione;5-methyl-1,3-diazinane-2,4,6-trione;hydrochloride
SMILESCC(C)N1C(=O)NC(=O)C(N)C1=O.CC1C(=O)NC(=O)NC1=O.Cl
InChIInChI=1S/C7H11N3O3.C5H6N2O3.ClH/c1-3(2)10-6(12)4(8)5(11)9-7(10)13;1-2-3(8)6-5(10)7-4(2)9;/h3-4H,8H2,1-2H3,(H,9,11,13);2H,1H3,(H2,6,7,8,9,10);1H
InChIKeyWJMBILNCYCRRPB-UHFFFAOYSA-N
XLogP-1.79
TPSA167.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-1-propan-2-yl-1,3-diazinane-2,4,6-trione;5-methyl-1,3-diazinane-2,4,6-trione;hydrochloride?
The IUPAC name of 5-amino-1-propan-2-yl-1,3-diazinane-2,4,6-trione;5-methyl-1,3-diazinane-2,4,6-trione;hydrochloride (CID 66811050) is 5-amino-1-propan-2-yl-1,3-diazinane-2,4,6-trione;5-methyl-1,3-diazinane-2,4,6-trione;hydrochloride.
What is the SMILES notation for 5-amino-1-propan-2-yl-1,3-diazinane-2,4,6-trione;5-methyl-1,3-diazinane-2,4,6-trione;hydrochloride?
The canonical SMILES for 5-amino-1-propan-2-yl-1,3-diazinane-2,4,6-trione;5-methyl-1,3-diazinane-2,4,6-trione;hydrochloride is CC(C)N1C(=O)NC(=O)C(N)C1=O.CC1C(=O)NC(=O)NC1=O.Cl.
What is the InChIKey of 5-amino-1-propan-2-yl-1,3-diazinane-2,4,6-trione;5-methyl-1,3-diazinane-2,4,6-trione;hydrochloride?
The InChIKey is WJMBILNCYCRRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3.C5H6N2O3.ClH/c1-3(2)10-6(12)4(8)5(11)9-7(10)13;1-2-3(8)6-5(10)7-4(2)9;/h3-4H,8H2,1-2H3,(H,9,11,13);2H,1H3,(H2,6,7,8,9,10);1H.
What are the key properties of 5-amino-1-propan-2-yl-1,3-diazinane-2,4,6-trione;5-methyl-1,3-diazinane-2,4,6-trione;hydrochloride?
5-amino-1-propan-2-yl-1,3-diazinane-2,4,6-trione;5-methyl-1,3-diazinane-2,4,6-trione;hydrochloride has a molecular weight of 363.76 g/mol, XLogP of -1.79, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propan-2-yl-1,3-diazinane-2,4,6-trione;5-methyl-1,3-diazinane-2,4,6-trione;hydrochloride is sourced from PubChem (CID 66811050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).