2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one

C13H18N2O — CID 78268048

IUPAC2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one
SMILESCCC1NC(=O)C(c2ccccc2)C(C)N1
InChIInChI=1S/C13H18N2O/c1-3-11-14-9(2)12(13(16)15-11)10-7-5-4-6-8-10/h4-9,11-12,14H,3H2,1-2H3,(H,15,16)
InChIKeyPMEZAPWLRDFAIZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.61
Rot. Bonds2

About 2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one

2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one (PubChem CID 78268048) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one
PubChem CID78268048
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one
SMILESCCC1NC(=O)C(c2ccccc2)C(C)N1
InChIInChI=1S/C13H18N2O/c1-3-11-14-9(2)12(13(16)15-11)10-7-5-4-6-8-10/h4-9,11-12,14H,3H2,1-2H3,(H,15,16)
InChIKeyPMEZAPWLRDFAIZ-UHFFFAOYSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-6-phenyl-1,3-diazinan-4-one
CID 78214180
(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749
(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
CID 917022
(2R,3R,6S,7R)-3,6-dimethyl-2,7-diphenyl-1,4-diazepan-5-one
CID 15038927
5-ethyl-3-phenylpiperazin-2-one
CID 82396570
(3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one
CID 15432500
3-(4-hydroxyphenyl)-4-methylazetidin-2-one
CID 141021087
5-chloro-6-methyl-2-phenyl-1,3-diazinan-4-one
CID 78207197
(3S,4S)-3-methyl-4-phenyl-3,4-dihydro-2H-2-benzazepine-1,5-dione
CID 102510066
(4-oxo-3-phenylazetidin-2-yl) acetate
CID 18318993
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
6-methyl-2-phenyl-5-prop-2-enyl-1,3-diazinan-4-one
CID 78205838

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one?
The IUPAC name of 2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one (CID 78268048) is 2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one.
What is the SMILES notation for 2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one?
The canonical SMILES for 2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one is CCC1NC(=O)C(c2ccccc2)C(C)N1.
What is the InChIKey of 2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one?
The InChIKey is PMEZAPWLRDFAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-11-14-9(2)12(13(16)15-11)10-7-5-4-6-8-10/h4-9,11-12,14H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one?
2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one has a molecular weight of 218.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one is sourced from PubChem (CID 78268048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).