1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione

C9H14N2O3 — CID 23821

IUPAC1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C9H14N2O3/c1-5(2)6-7(12)10(3)9(14)11(4)8(6)13/h5-6H,1-4H3
InChIKeyUDOOPVQAORZPMV-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.31
Rot. Bonds1

About 1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 23821) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID23821
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C9H14N2O3/c1-5(2)6-7(12)10(3)9(14)11(4)8(6)13/h5-6H,1-4H3
InChIKeyUDOOPVQAORZPMV-UHFFFAOYSA-N
XLogP0.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 23821) is 1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is CC(C)C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is UDOOPVQAORZPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(2)6-7(12)10(3)9(14)11(4)8(6)13/h5-6H,1-4H3.
What are the key properties of 1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 198.22 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 23821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).