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

C12H16N2O — CID 78214180

IUPAC2-ethyl-6-phenyl-1,3-diazinan-4-one
SMILESCCC1NC(=O)CC(c2ccccc2)N1
InChIInChI=1S/C12H16N2O/c1-2-11-13-10(8-12(15)14-11)9-6-4-3-5-7-9/h3-7,10-11,13H,2,8H2,1H3,(H,14,15)
InChIKeyKDXMKBRXZGQGGN-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.57
Rot. Bonds2

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

2-ethyl-6-phenyl-1,3-diazinan-4-one (PubChem CID 78214180) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-ethyl-6-phenyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-ethyl-6-phenyl-1,3-diazinan-4-one
PubChem CID78214180
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-ethyl-6-phenyl-1,3-diazinan-4-one
SMILESCCC1NC(=O)CC(c2ccccc2)N1
InChIInChI=1S/C12H16N2O/c1-2-11-13-10(8-12(15)14-11)9-6-4-3-5-7-9/h3-7,10-11,13H,2,8H2,1H3,(H,14,15)
InChIKeyKDXMKBRXZGQGGN-UHFFFAOYSA-N
XLogP1.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one
CID 165414878
(2S,7S)-2,7-diphenyl-1,4-diazepan-5-one
CID 71351344
2,7-diphenyl-1,4-diazepan-5-one
CID 10264918
2-ethyl-6-methyl-5-phenyl-1,3-diazinan-4-one
CID 78268048
2-phenacylsulfanyl-6-phenyl-1,3-diazinan-4-one
CID 78208401
6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one
CID 78248250
5-ethyl-3-phenylpiperazin-2-one
CID 82396570
4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one
CID 66102599
(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
CID 95435375
4-amino-5-phenylpyrrolidin-2-one
CID 75606920
(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one
CID 158341952
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-phenyl-1,3-diazinan-4-one?
The IUPAC name of 2-ethyl-6-phenyl-1,3-diazinan-4-one (CID 78214180) is 2-ethyl-6-phenyl-1,3-diazinan-4-one.
What is the SMILES notation for 2-ethyl-6-phenyl-1,3-diazinan-4-one?
The canonical SMILES for 2-ethyl-6-phenyl-1,3-diazinan-4-one is CCC1NC(=O)CC(c2ccccc2)N1.
What is the InChIKey of 2-ethyl-6-phenyl-1,3-diazinan-4-one?
The InChIKey is KDXMKBRXZGQGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-11-13-10(8-12(15)14-11)9-6-4-3-5-7-9/h3-7,10-11,13H,2,8H2,1H3,(H,14,15).
What are the key properties of 2-ethyl-6-phenyl-1,3-diazinan-4-one?
2-ethyl-6-phenyl-1,3-diazinan-4-one has a molecular weight of 204.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-phenyl-1,3-diazinan-4-one is sourced from PubChem (CID 78214180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).