6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione

C18H19N2O3P — CID 2828354

IUPAC6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CC(P(=O)(c2ccccc2)c2ccccc2)N(C)C1=O
InChIInChI=1S/C18H19N2O3P/c1-19-16(21)13-17(20(2)18(19)22)24(23,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,13H2,1-2H3
InChIKeyBHSXVPZFIWAEKX-UHFFFAOYSA-N
MW342.34 g/mol
LogP2.24
Rot. Bonds3

About 6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione

6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 2828354) has the molecular formula C18H19N2O3P and a molecular weight of 342.34 g/mol. Its IUPAC name is 6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione
PubChem CID2828354
Molecular FormulaC18H19N2O3P
Molecular Weight342.34 g/mol
Exact Mass342.11
IUPAC Name6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CC(P(=O)(c2ccccc2)c2ccccc2)N(C)C1=O
InChIInChI=1S/C18H19N2O3P/c1-19-16(21)13-17(20(2)18(19)22)24(23,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,13H2,1-2H3
InChIKeyBHSXVPZFIWAEKX-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione (CID 2828354) is 6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione is CN1C(=O)CC(P(=O)(c2ccccc2)c2ccccc2)N(C)C1=O.
What is the InChIKey of 6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is BHSXVPZFIWAEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N2O3P/c1-19-16(21)13-17(20(2)18(19)22)24(23,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,13H2,1-2H3.
What are the key properties of 6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione?
6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 342.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 2828354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).