4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one

C12H21N3O2 — CID 103241418

IUPAC4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCCN(CC)CC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-4-10-13-11(16)9-12(14-10)17-8-7-15(5-2)6-3/h9H,4-8H2,1-3H3,(H,13,14,16)
InChIKeyUQNYIDQRUMEEOY-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.05
Rot. Bonds7

About 4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one

4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 103241418) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one
PubChem CID103241418
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OCCN(CC)CC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-4-10-13-11(16)9-12(14-10)17-8-7-15(5-2)6-3/h9H,4-8H2,1-3H3,(H,13,14,16)
InChIKeyUQNYIDQRUMEEOY-UHFFFAOYSA-N
XLogP1.05
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one 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

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one
CID 14279697
6-Amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 59073654
2-Ethyl-6-propoxypyrimidin-4(1H)-one
CID 45117356
6-Propoxy-2-propylpyrimidin-4(1H)-one
CID 45117371
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
2-ethyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635013
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 102741496
2-cyclopropyl-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741497
4-[2-[cyclopropyl(methyl)amino]ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102741502
4-(2-ethoxyethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103240587
2-ethyl-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240666

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one (CID 103241418) is 4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(OCCN(CC)CC)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is UQNYIDQRUMEEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-10-13-11(16)9-12(14-10)17-8-7-15(5-2)6-3/h9H,4-8H2,1-3H3,(H,13,14,16).
What are the key properties of 4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one?
4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethoxy]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).