(5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione

C11H10N2O3 — CID 817582

IUPAC(5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)NC(=O)[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C11H10N2O3/c1-13-10(15)8(9(14)12-11(13)16)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,12,14,16)/t8-/m1/s1
InChIKeyYGVQNHPIDLCYTP-MRVPVSSYSA-N
MW218.21 g/mol
LogP0.48
Rot. Bonds1

About (5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione

(5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 817582) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is (5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID817582
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name(5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)NC(=O)[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C11H10N2O3/c1-13-10(15)8(9(14)12-11(13)16)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,12,14,16)/t8-/m1/s1
InChIKeyYGVQNHPIDLCYTP-MRVPVSSYSA-N
XLogP0.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 141055263
1-methyl-5-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 112598766
(5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione
CID 124528060
5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 805159
1-methyl-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 67491873
1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione
CID 102461648
1-methyl-2,6-dioxo-5-phenyl-5H-pyrimidin-4-olate
CID 20502779
sodium 5-phenyl-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 54600111
5-chloro-1-methyl-3-phenyl-3H-indol-2-one
CID 56690292
(3S)-3-phenyl-1H-quinoline-2,4-dione
CID 51552290
(5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione
CID 129385795
2-amino-1-methyl-4-phenyl-4H-imidazol-5-one
CID 54021123

Frequently Asked Questions

What is the IUPAC name of (5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione (CID 817582) is (5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione is CN1C(=O)NC(=O)[C@@H](c2ccccc2)C1=O.
What is the InChIKey of (5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is YGVQNHPIDLCYTP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-13-10(15)8(9(14)12-11(13)16)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,12,14,16)/t8-/m1/s1.
What are the key properties of (5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
(5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 218.21 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 817582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).