4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one

C11H19N3O2 — CID 103241384

IUPAC4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCN(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-8(2)11-12-9(15)7-10(13-11)16-6-5-14(3)4/h7-8H,5-6H2,1-4H3,(H,12,13,15)
InChIKeyRXIOKQLNASFEKI-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.83
Rot. Bonds5

About 4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one

4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103241384) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103241384
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OCCN(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-8(2)11-12-9(15)7-10(13-11)16-6-5-14(3)4/h7-8H,5-6H2,1-4H3,(H,12,13,15)
InChIKeyRXIOKQLNASFEKI-UHFFFAOYSA-N
XLogP0.83
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one
CID 14279697
6-Methoxy-2-(propan-2-yl)pyrimidin-4(3H)-one
CID 23338958
(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl) N,N-diethylcarbamate
CID 20351277
2-Ethyl-6-propoxypyrimidin-4(1H)-one
CID 45117356
6-Isopropoxy-2-isopropylpyrimidin-4(1H)-one
CID 45117357
6-Propoxy-2-propylpyrimidin-4(1H)-one
CID 45117371
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102634872
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one (CID 103241384) is 4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OCCN(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is RXIOKQLNASFEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)11-12-9(15)7-10(13-11)16-6-5-14(3)4/h7-8H,5-6H2,1-4H3,(H,12,13,15).
What are the key properties of 4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).