(6R)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione

C18H19N2O3P — CID 694557

IUPAC(6R)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)C[C@@H](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/t17-/m1/s1
InChIKeyBHSXVPZFIWAEKX-QGZVFWFLSA-N
MW342.34 g/mol
LogP2.24
Rot. Bonds3

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

(6R)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 694557) has the molecular formula C18H19N2O3P and a molecular weight of 342.34 g/mol. Its IUPAC name is (6R)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6R)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione
PubChem CID694557
Molecular FormulaC18H19N2O3P
Molecular Weight342.34 g/mol
Exact Mass342.11
IUPAC Name(6R)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)C[C@@H](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/t17-/m1/s1
InChIKeyBHSXVPZFIWAEKX-QGZVFWFLSA-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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Related Compounds

3-(diethylamino)-2-(diphenylphosphoryl)-N,N-diethylpropanamide
CID 2879771
6-(diphenylphosphoryl)-1,3-dimethyldihydro-2,4(1H,3H)-pyrimidinedione
CID 2828354
1,3-Diallyl-5-[3-(diphenylphosphino)propyl]-1,3,5-triazine-2,4,6(1h,3h,5h)-trione
CID 14953667
N,N-diisobutyl-3-(diethylamino)-2-(diphenyl-phosphinoyl)propionamide
CID 129765089
1-(3-Diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 14953670
(6S)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 694554
(2S)-3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide
CID 2258278
(2R)-3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide
CID 2258280
1,3-Diethyl-5-(triphenyl-lambda5-phosphanylidene)-1,3-diazinane-2,4,6-trione
CID 4068034
2-Diphenylphosphoryl-1-(4-methylpiperazin-1-yl)ethanone
CID 4495254
3-Methyl-1-(4-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-yl)-2,4-dioxo-1,3-diazinane-5-carbonitrile
CID 10926017
2-diphenylphosphoryl-N,N-diethylpropanamide
CID 14897367

Frequently Asked Questions

What is the IUPAC name of (6R)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of (6R)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione (CID 694557) is (6R)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6R)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (6R)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione is CN1C(=O)C[C@@H](P(=O)(c2ccccc2)c2ccccc2)N(C)C1=O.
What is the InChIKey of (6R)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is BHSXVPZFIWAEKX-QGZVFWFLSA-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/t17-/m1/s1.
What are the key properties of (6R)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione?
(6R)-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 (6R)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 694557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).