1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione

C17H19F3N4O2 — CID 46937223

IUPAC1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione
SMILESCCn1c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(=O)[nH]c1=O
InChIInChI=1S/C17H19F3N4O2/c1-2-24-15(11-14(25)21-16(24)26)23-8-6-22(7-9-23)13-5-3-4-12(10-13)17(18,19)20/h3-5,10-11H,2,6-9H2,1H3,(H,21,25,26)
InChIKeyCRAPDZQXPRYOAP-UHFFFAOYSA-N
MW368.36 g/mol
LogP1.90
Rot. Bonds3

About 1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione

1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione (PubChem CID 46937223) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione
PubChem CID46937223
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione
SMILESCCn1c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(=O)[nH]c1=O
InChIInChI=1S/C17H19F3N4O2/c1-2-24-15(11-14(25)21-16(24)26)23-8-6-22(7-9-23)13-5-3-4-12(10-13)17(18,19)20/h3-5,10-11H,2,6-9H2,1H3,(H,21,25,26)
InChIKeyCRAPDZQXPRYOAP-UHFFFAOYSA-N
XLogP1.90
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
CID 45382277
3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
CID 45382279
4-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135602314
4-(methoxymethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135911478
1-ethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzimidazol-2-one
CID 59144857
3-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-1H-benzimidazol-2-one
CID 23369442
4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one
CID 143125296
2,4-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 58269761
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 173434640
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione (CID 46937223) is 1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione is CCn1c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(=O)[nH]c1=O.
What is the InChIKey of 1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione?
The InChIKey is CRAPDZQXPRYOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-2-24-15(11-14(25)21-16(24)26)23-8-6-22(7-9-23)13-5-3-4-12(10-13)17(18,19)20/h3-5,10-11H,2,6-9H2,1H3,(H,21,25,26).
What are the key properties of 1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione?
1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione has a molecular weight of 368.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 46937223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).