6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

C20H26N4O4 — CID 19012090

IUPAC6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(=O)c1ccccc1OCCN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C20H26N4O4/c1-15(25)16-6-4-5-7-17(16)28-13-12-23-8-10-24(11-9-23)18-14-19(26)22(3)20(27)21(18)2/h4-7,14H,8-13H2,1-3H3
InChIKeyUFQIFEWRFYAFHR-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.49
Rot. Bonds6

About 6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 19012090) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID19012090
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(=O)c1ccccc1OCCN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C20H26N4O4/c1-15(25)16-6-4-5-7-17(16)28-13-12-23-8-10-24(11-9-23)18-14-19(26)22(3)20(27)21(18)2/h4-7,14H,8-13H2,1-3H3
InChIKeyUFQIFEWRFYAFHR-UHFFFAOYSA-N
XLogP0.49
TPSA76.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-[2-[2-(4-bromobenzoyl)phenoxy]ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 19012062
1,3-dimethyl-6-[4-[3-[2-(2-oxopropoxy)phenoxy]propyl]piperazin-1-yl]pyrimidine-2,4-dione;hydrochloride
CID 19012089
6-[4-[3-(2-chlorophenoxy)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 19011810
1,3-dimethyl-6-[4-[3-[2-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 19011897
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597
6-[4-[3-(4-acetyl-2-methylphenoxy)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 19011768
1,3-dimethyl-6-[4-[3-[2-[3-(4-methylsulfanylphenyl)prop-2-enoyl]phenoxy]propyl]piperazin-1-yl]pyrimidine-2,4-dione;oxalic acid
CID 67849734
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
6-[4-[3-(5-chloro-2-hydroxyphenoxy)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 19012018
2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42949475
1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 19012090) is 6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is CC(=O)c1ccccc1OCCN1CCN(c2cc(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of 6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is UFQIFEWRFYAFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-15(25)16-6-4-5-7-17(16)28-13-12-23-8-10-24(11-9-23)18-14-19(26)22(3)20(27)21(18)2/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 386.45 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 19012090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).