5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione

C20H25F3N4O3 — CID 70198309

IUPAC5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
SMILESCCc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3OC(F)(F)F)CC2)c1=O
InChIInChI=1S/C20H25F3N4O3/c1-2-15-14-24-19(29)27(18(15)28)9-5-8-25-10-12-26(13-11-25)16-6-3-4-7-17(16)30-20(21,22)23/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,24,29)
InChIKeyDZYDNSZWNMRZEO-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.21
Rot. Bonds7

About 5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione

5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione (PubChem CID 70198309) has the molecular formula C20H25F3N4O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is 5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
PubChem CID70198309
Molecular FormulaC20H25F3N4O3
Molecular Weight426.44 g/mol
Exact Mass426.19
IUPAC Name5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
SMILESCCc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3OC(F)(F)F)CC2)c1=O
InChIInChI=1S/C20H25F3N4O3/c1-2-15-14-24-19(29)27(18(15)28)9-5-8-25-10-12-26(13-11-25)16-6-3-4-7-17(16)30-20(21,22)23/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,24,29)
InChIKeyDZYDNSZWNMRZEO-UHFFFAOYSA-N
XLogP2.21
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-(1-pyridin-3-ylethyl)-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
CID 70201917
3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 71034112
5-methyl-3-[3-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
CID 70202161
1-benzyl-5-ethyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione
CID 70201571
1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine
CID 167238583
1-benzyl-5-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride
CID 70198103
N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 139080265
2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione
CID 110184124
1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine
CID 157039254
(E)-but-2-enedioic acid;3-[2,2-dimethyl-3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 70198261
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione (CID 70198309) is 5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione is CCc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3OC(F)(F)F)CC2)c1=O.
What is the InChIKey of 5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DZYDNSZWNMRZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O3/c1-2-15-14-24-19(29)27(18(15)28)9-5-8-25-10-12-26(13-11-25)16-6-3-4-7-17(16)30-20(21,22)23/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,24,29).
What are the key properties of 5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione?
5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione has a molecular weight of 426.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[3-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70198309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).