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

C13H23N3O2 — CID 103241422

IUPAC4-[2-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCN(CC)CCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-5-16(6-2)7-8-18-12-9-11(17)14-13(15-12)10(3)4/h9-10H,5-8H2,1-4H3,(H,14,15,17)
InChIKeyATZRXLLBXBXVDM-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.61
Rot. Bonds7

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

4-[2-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 103241422) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID103241422
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-[2-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCN(CC)CCOc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-5-16(6-2)7-8-18-12-9-11(17)14-13(15-12)10(3)4/h9-10H,5-8H2,1-4H3,(H,14,15,17)
InChIKeyATZRXLLBXBXVDM-UHFFFAOYSA-N
XLogP1.61
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(diethylamino)ethoxy]-2-propan-2-yl-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-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-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one (CID 103241422) is 4-[2-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one is CCN(CC)CCOc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ATZRXLLBXBXVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-16(6-2)7-8-18-12-9-11(17)14-13(15-12)10(3)4/h9-10H,5-8H2,1-4H3,(H,14,15,17).
What are the key properties of 4-[2-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(diethylamino)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 1.61, 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).