5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine

C39H22BrF7N4 — CID 160669499

IUPAC5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine
SMILESFc1cccc(F)c1-c1ncc(-c2ccc(Br)cc2)cn1.Fc1cccc(F)c1-c1nccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C23H13F5N2.C16H9BrF2N2/c24-18-2-1-3-19(25)21(18)22-29-13-12-20(30-22)16-6-4-14(5-7-16)15-8-10-17(11-9-15)23(26,27)28;17-12-6-4-10(5-7-12)11-8-20-16(21-9-11)15-13(18)2-1-3-14(15)19/h1-13H;1-9H
InChIKeyRMSYWMHWSNHZIO-UHFFFAOYSA-N
MW759.52 g/mol
LogP11.63
Rot. Bonds5

About 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine

5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine (PubChem CID 160669499) has the molecular formula C39H22BrF7N4 and a molecular weight of 759.52 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine
PubChem CID160669499
Molecular FormulaC39H22BrF7N4
Molecular Weight759.52 g/mol
Exact Mass758.09
IUPAC Name5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine
SMILESFc1cccc(F)c1-c1ncc(-c2ccc(Br)cc2)cn1.Fc1cccc(F)c1-c1nccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C23H13F5N2.C16H9BrF2N2/c24-18-2-1-3-19(25)21(18)22-29-13-12-20(30-22)16-6-4-14(5-7-16)15-8-10-17(11-9-15)23(26,27)28;17-12-6-4-10(5-7-12)11-8-20-16(21-9-11)15-13(18)2-1-3-14(15)19/h1-13H;1-9H
InChIKeyRMSYWMHWSNHZIO-UHFFFAOYSA-N
XLogP11.63
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.52
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine 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

4-(4-Bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine
CID 162644833
N-[3-(4-bromophenyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 129010742
4-(Biphenyl-4-yl)-6-(4-bromophenyl)-2-phenylpyrimidine
CID 89992073
4-Phenyl-2-[3-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine
CID 102598821
2-(4-Bromophenyl)-4-phenyl-3-(trifluoromethyl)-1,8-naphthyridine
CID 176424559
4-(3-Bromophenyl)-2-phenyl-3-(trifluoromethyl)-1,8-naphthyridine
CID 176424572
4-(4-Bromophenyl)-2-phenylpyrimidine
CID 10638748
Pyrimidine, 2,4-bis(4-bromophenyl)-
CID 10739118
2-(4-Bromophenyl)-4-phenylpyrimidine
CID 14975734
4-(4-Fluorophenyl)-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 3395887
5-Pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 3608406
2-Pyridin-4-yl-5-pyrimidin-4-yl-4-[4-(trifluoromethyl)phenyl]pyrimidine
CID 5235377

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine (CID 160669499) is 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine is Fc1cccc(F)c1-c1ncc(-c2ccc(Br)cc2)cn1.Fc1cccc(F)c1-c1nccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n1.
What is the InChIKey of 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine?
The InChIKey is RMSYWMHWSNHZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F5N2.C16H9BrF2N2/c24-18-2-1-3-19(25)21(18)22-29-13-12-20(30-22)16-6-4-14(5-7-16)15-8-10-17(11-9-15)23(26,27)28;17-12-6-4-10(5-7-12)11-8-20-16(21-9-11)15-13(18)2-1-3-14(15)19/h1-13H;1-9H.
What are the key properties of 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine?
5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine has a molecular weight of 759.52 g/mol, XLogP of 11.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine;2-(2,6-difluorophenyl)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 160669499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).