2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium

C18H26N3O+ — CID 7241083

IUPAC2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium
SMILESCC[NH+](CC)CCn1c(C)nc(=O)c(-c2ccccc2)c1C
InChIInChI=1S/C18H25N3O/c1-5-20(6-2)12-13-21-14(3)17(18(22)19-15(21)4)16-10-8-7-9-11-16/h7-11H,5-6,12-13H2,1-4H3/p+1
InChIKeyUUCSGAUKOYGFED-UHFFFAOYSA-O
MW300.43 g/mol
LogP1.45
Rot. Bonds6

About 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium

2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium (PubChem CID 7241083) has the molecular formula C18H26N3O+ and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium
PubChem CID7241083
Molecular FormulaC18H26N3O+
Molecular Weight300.43 g/mol
Exact Mass300.21
IUPAC Name2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium
SMILESCC[NH+](CC)CCn1c(C)nc(=O)c(-c2ccccc2)c1C
InChIInChI=1S/C18H25N3O/c1-5-20(6-2)12-13-21-14(3)17(18(22)19-15(21)4)16-10-8-7-9-11-16/h7-11H,5-6,12-13H2,1-4H3/p+1
InChIKeyUUCSGAUKOYGFED-UHFFFAOYSA-O
XLogP1.45
TPSA39.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one;dihydrochloride
CID 90485541
diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium
CID 7358652
2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one
CID 776578
diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium
CID 3610351
1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
CID 10779980
2-[4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)phenoxy]acetic acid
CID 1491830
2-(3,4-dichlorophenyl)-1-ethyl-6-methyl-4-oxo-5-phenylpyridine-3-carboxylic acid
CID 163387995
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
CID 3311763
diethyl-[2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]azanium
CID 2405299
2-[4-[(2-ethylsulfanyl-6-methyl-4-oxo-5-phenylpyrimidin-1-yl)methyl]phenyl]benzonitrile
CID 68877634
2,3,5,6-tetraphenyl-1-propylpyridin-4-one
CID 73057320
1-dodecyl-4,5-dimethyl-2-phenylimidazole
CID 20532413

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium?
The IUPAC name of 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium (CID 7241083) is 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium.
What is the SMILES notation for 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium?
The canonical SMILES for 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium is CC[NH+](CC)CCn1c(C)nc(=O)c(-c2ccccc2)c1C.
What is the InChIKey of 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium?
The InChIKey is UUCSGAUKOYGFED-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N3O/c1-5-20(6-2)12-13-21-14(3)17(18(22)19-15(21)4)16-10-8-7-9-11-16/h7-11H,5-6,12-13H2,1-4H3/p+1.
What are the key properties of 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium?
2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium has a molecular weight of 300.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)ethyl-diethylazanium is sourced from PubChem (CID 7241083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).