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

C11H19N3O2 — CID 103241417

IUPAC4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)CCOc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O2/c1-4-14(5-2)6-7-16-11-8-10(15)12-9(3)13-11/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyGLBCIGFZKAYDIG-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.80
Rot. Bonds6

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

4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one (PubChem CID 103241417) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one
PubChem CID103241417
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)CCOc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O2/c1-4-14(5-2)6-7-16-11-8-10(15)12-9(3)13-11/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyGLBCIGFZKAYDIG-UHFFFAOYSA-N
XLogP0.80
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
6-Amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 59073654
4-Hydroxy-2-methyl-6-morpholinopyrimidine
CID 135592113
4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one
CID 166803033
6-Ethoxy-1,3-diethyl-2-methylpyrimidin-1-ium-4-one
CID 12335021
2-Methyl-6-propoxypyrimidin-4(1H)-one
CID 45117351
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-butoxy-2-methyl-1H-pyrimidin-6-one
CID 103240833
4-(3-methoxypropoxy)-2-methyl-1H-pyrimidin-6-one
CID 103240871
2-cyclopropyl-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241378

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one (CID 103241417) is 4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one is CCN(CC)CCOc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is GLBCIGFZKAYDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-14(5-2)6-7-16-11-8-10(15)12-9(3)13-11/h8H,4-7H2,1-3H3,(H,12,13,15).
What are the key properties of 4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one?
4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.80, 6 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).