1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione

C14H23N3O3 — CID 12010776

IUPAC1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1CNC(C)C1C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C14H23N3O3/c1-7(2)9-6-15-8(3)10(9)11-12(18)16(4)14(20)17(5)13(11)19/h7-11,15H,6H2,1-5H3
InChIKeyDXYRBBMBCSMFLI-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.53
Rot. Bonds2

About 1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 12010776) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione
PubChem CID12010776
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1CNC(C)C1C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C14H23N3O3/c1-7(2)9-6-15-8(3)10(9)11-12(18)16(4)14(20)17(5)13(11)19/h7-11,15H,6H2,1-5H3
InChIKeyDXYRBBMBCSMFLI-UHFFFAOYSA-N
XLogP0.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
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 1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione (CID 12010776) is 1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione is CC(C)C1CNC(C)C1C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is DXYRBBMBCSMFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-7(2)9-6-15-8(3)10(9)11-12(18)16(4)14(20)17(5)13(11)19/h7-11,15H,6H2,1-5H3.
What are the key properties of 1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 281.36 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-methyl-4-propan-2-ylpyrrolidin-3-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 12010776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).