5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane)

C102H97BrF6N8P4PdSn — CID 158167580

IUPAC5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane)
SMILESCCCC[Sn](CCCC)(CCCC)c1cnccn1.FC(F)(F)c1ncc(-c2cnccn2)cn1.FC(F)(F)c1ncc(Br)cn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C9H5F3N4.C5H2BrF3N2.C4H3N2.3C4H9.Pd.Sn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;10-9(11,12)8-15-3-6(4-16-8)7-5-13-1-2-14-7;6-3-1-10-4(11-2-3)5(7,8)9;1-2-6-4-3-5-1;3*1-3-4-2;;/h4*1-15H;1-5H;1-2H;1-3H;3*1,3-4H2,2H3;;
InChIKeyFXARAZPCKRXCRF-UHFFFAOYSA-N
MW1977.87 g/mol
LogP22.52
Rot. Bonds23

About 5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane)

5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane) (PubChem CID 158167580) has the molecular formula C102H97BrF6N8P4PdSn and a molecular weight of 1977.87 g/mol. Its IUPAC name is 5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane)
PubChem CID158167580
Molecular FormulaC102H97BrF6N8P4PdSn
Molecular Weight1977.87 g/mol
Exact Mass1976.39
IUPAC Name5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane)
SMILESCCCC[Sn](CCCC)(CCCC)c1cnccn1.FC(F)(F)c1ncc(-c2cnccn2)cn1.FC(F)(F)c1ncc(Br)cn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C9H5F3N4.C5H2BrF3N2.C4H3N2.3C4H9.Pd.Sn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;10-9(11,12)8-15-3-6(4-16-8)7-5-13-1-2-14-7;6-3-1-10-4(11-2-3)5(7,8)9;1-2-6-4-3-5-1;3*1-3-4-2;;/h4*1-15H;1-5H;1-2H;1-3H;3*1,3-4H2,2H3;;
InChIKeyFXARAZPCKRXCRF-UHFFFAOYSA-N
XLogP22.52
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001977.87
LogP ≤ 522.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane) 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

ethane;2-(3-methylbutyl)pyrazine;2-(3-methylbutyl)pyridine;2-(3-methylbutyl)pyrimidine;4-(3-methylbutyl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-(trifluoromethyl)benzene;N-methyl-N-propan-2-ylaniline;tetrakis(2-methylpropylbenzene)
CID 158216192
Lithium;2-bromopyridine;5-bromo-2-(trifluoromethyl)pyrimidine;butane;palladium;5-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(chloro)stannane;bis(tributyl(pyridin-2-yl)stannane);tetrakis(triphenylphosphane)
CID 159657151
2-[6-(4,6-Diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 157101763
2,6-Difluoro-3-methylpyridine;2,6-difluoro-4-methylpyridine;2-fluoro-6-methylpyridine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine
CID 157532576
5-Bromo-2-tert-butylpyrimidine;2-tert-butyl-5-pyridin-2-ylpyrimidine;dichloropalladium;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)
CID 158410618
4-Methyl-2,6-diphenylpyridine;2-methyl-4,6-diphenylpyrimidine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyrazine;2-methylpyrimidine;2-methyl-1,3,5-triazine
CID 158519309
2-[(3R)-3-methylpiperazin-1-yl]-5-pyrimidin-2-ylpyrazine;palladium;tributyl(pyrimidin-2-yl)stannane;tetrakis(triphenylphosphane)
CID 159872174
2-Fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine
CID 161258252
4-Methyl-2,6-diphenylpyridine;2-methyl-4,6-diphenylpyrimidine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methylpyrazine;2-methyl-1,3,5-triazine
CID 161586915
2,4-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylpyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrazin-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 161820389

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane)?
The IUPAC name of 5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane) (CID 158167580) is 5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane).
What is the SMILES notation for 5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane)?
The canonical SMILES for 5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane) is CCCC[Sn](CCCC)(CCCC)c1cnccn1.FC(F)(F)c1ncc(-c2cnccn2)cn1.FC(F)(F)c1ncc(Br)cn1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane)?
The InChIKey is FXARAZPCKRXCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C9H5F3N4.C5H2BrF3N2.C4H3N2.3C4H9.Pd.Sn/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;10-9(11,12)8-15-3-6(4-16-8)7-5-13-1-2-14-7;6-3-1-10-4(11-2-3)5(7,8)9;1-2-6-4-3-5-1;3*1-3-4-2;;/h4*1-15H;1-5H;1-2H;1-3H;3*1,3-4H2,2H3;;.
What are the key properties of 5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane)?
5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane) has a molecular weight of 1977.87 g/mol, XLogP of 22.52, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(trifluoromethyl)pyrimidine;palladium;5-pyrazin-2-yl-2-(trifluoromethyl)pyrimidine;tributyl(pyrazin-2-yl)stannane;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158167580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).