diethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium

C12H22N3O3+ — CID 6936722

IUPACdiethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium
SMILESCC[NH+](CC)CCc1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N3O3/c1-5-15(6-2)8-7-9-10(16)13(3)12(18)14(4)11(9)17/h16H,5-8H2,1-4H3/p+1
InChIKeyJEIOQUMVEKWKRQ-UHFFFAOYSA-O
MW256.33 g/mol
LogP-1.74
Rot. Bonds5

About diethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium

diethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium (PubChem CID 6936722) has the molecular formula C12H22N3O3+ and a molecular weight of 256.33 g/mol. Its IUPAC name is diethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium
PubChem CID6936722
Molecular FormulaC12H22N3O3+
Molecular Weight256.33 g/mol
Exact Mass256.17
IUPAC Namediethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium
SMILESCC[NH+](CC)CCc1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N3O3/c1-5-15(6-2)8-7-9-10(16)13(3)12(18)14(4)11(9)17/h16H,5-8H2,1-4H3/p+1
InChIKeyJEIOQUMVEKWKRQ-UHFFFAOYSA-O
XLogP-1.74
TPSA68.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione
CID 11557464
5-(hydroxymethyl)-1,3,6-trimethylpyrimidine-2,4-dione
CID 4153777
6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione
CID 136593527
3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione
CID 123916430
1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one
CID 91000822
6-hydroxy-1,3-dimethyl-5-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrimidine-2,4-dione
CID 101179925
1,3,6-trimethyl-5-(nitrosomethyl)pyrimidine-2,4-dione
CID 91571964
2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]butanedioic acid
CID 2905941
6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4623736
5-[(Z)-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135548542
4-ethyl-5-hydroxy-2,6-dimethylpyridazin-3-one
CID 66709278
5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 151515415

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium?
The IUPAC name of diethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium (CID 6936722) is diethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium.
What is the SMILES notation for diethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium?
The canonical SMILES for diethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium is CC[NH+](CC)CCc1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of diethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium?
The InChIKey is JEIOQUMVEKWKRQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H21N3O3/c1-5-15(6-2)8-7-9-10(16)13(3)12(18)14(4)11(9)17/h16H,5-8H2,1-4H3/p+1.
What are the key properties of diethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium?
diethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium has a molecular weight of 256.33 g/mol, XLogP of -1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethyl]azanium is sourced from PubChem (CID 6936722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).