(5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione

C23H20N2O2 — CID 13353740

IUPAC(5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)N(c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H20N2O2/c1-24-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)22(26)25(23(24)27)19-15-9-4-10-16-19/h2-16,20-21H,1H3/t20-,21-/m0/s1
InChIKeyDRXIDXOXCBSPMC-SFTDATJTSA-N
MW356.43 g/mol
LogP4.61
Rot. Bonds3

About (5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione

(5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione (PubChem CID 13353740) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione
PubChem CID13353740
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name(5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)N(c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H20N2O2/c1-24-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)22(26)25(23(24)27)19-15-9-4-10-16-19/h2-16,20-21H,1H3/t20-,21-/m0/s1
InChIKeyDRXIDXOXCBSPMC-SFTDATJTSA-N
XLogP4.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione?
The IUPAC name of (5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione (CID 13353740) is (5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione is CN1C(=O)N(c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione?
The InChIKey is DRXIDXOXCBSPMC-SFTDATJTSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-24-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)22(26)25(23(24)27)19-15-9-4-10-16-19/h2-16,20-21H,1H3/t20-,21-/m0/s1.
What are the key properties of (5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione?
(5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-1-methyl-3,5,6-triphenyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 13353740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).