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

C18H19F3N4O2 — CID 45382279

IUPAC3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESC=CCn1c(=O)cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O
InChIInChI=1S/C18H19F3N4O2/c1-2-6-25-16(26)12-15(22-17(25)27)24-9-7-23(8-10-24)14-5-3-4-13(11-14)18(19,20)21/h2-5,11-12H,1,6-10H2,(H,22,27)
InChIKeyOBDSPODXBUMISA-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.07
Rot. Bonds4

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

3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 45382279) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID45382279
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESC=CCn1c(=O)cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O
InChIInChI=1S/C18H19F3N4O2/c1-2-6-25-16(26)12-15(22-17(25)27)24-9-7-23(8-10-24)14-5-3-4-13(11-14)18(19,20)21/h2-5,11-12H,1,6-10H2,(H,22,27)
InChIKeyOBDSPODXBUMISA-UHFFFAOYSA-N
XLogP2.07
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
CID 45382277
3-cyclohexyl-1-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 45480138
1-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 46937223
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
3-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-1H-benzimidazol-2-one
CID 23369442
3-prop-2-enyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 110491254
1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 79286115
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one
CID 143125296
1-(4-chlorobut-2-enyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 77051345
butanedioic acid;3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 67438820
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione (CID 45382279) is 3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione is C=CCn1c(=O)cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O.
What is the InChIKey of 3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is OBDSPODXBUMISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-2-6-25-16(26)12-15(22-17(25)27)24-9-7-23(8-10-24)14-5-3-4-13(11-14)18(19,20)21/h2-5,11-12H,1,6-10H2,(H,22,27).
What are the key properties of 3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione?
3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 380.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 45382279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).