4-bromo-2,6-diphenylpyrimidine;ethane

C18H17BrN2 — CID 142370256

IUPAC4-bromo-2,6-diphenylpyrimidine;ethane
SMILESBrc1cc(-c2ccccc2)nc(-c2ccccc2)n1.CC
InChIInChI=1S/C16H11BrN2.C2H6/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13;1-2/h1-11H;1-2H3
InChIKeyBBPPAPLADIMPHX-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.60
Rot. Bonds2

About 4-bromo-2,6-diphenylpyrimidine;ethane

4-bromo-2,6-diphenylpyrimidine;ethane (PubChem CID 142370256) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-bromo-2,6-diphenylpyrimidine;ethane.

Molecular Properties

Compound Name4-bromo-2,6-diphenylpyrimidine;ethane
PubChem CID142370256
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC Name4-bromo-2,6-diphenylpyrimidine;ethane
SMILESBrc1cc(-c2ccccc2)nc(-c2ccccc2)n1.CC
InChIInChI=1S/C16H11BrN2.C2H6/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13;1-2/h1-11H;1-2H3
InChIKeyBBPPAPLADIMPHX-UHFFFAOYSA-N
XLogP5.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2,6-diphenylpyrimidine;ethane 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-bromo-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 122657844
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
4-(3-bromo-5-phenylphenyl)-2,6-diphenylpyrimidine
CID 58943669
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155757935
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine
CID 15531052

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-diphenylpyrimidine;ethane?
The IUPAC name of 4-bromo-2,6-diphenylpyrimidine;ethane (CID 142370256) is 4-bromo-2,6-diphenylpyrimidine;ethane.
What is the SMILES notation for 4-bromo-2,6-diphenylpyrimidine;ethane?
The canonical SMILES for 4-bromo-2,6-diphenylpyrimidine;ethane is Brc1cc(-c2ccccc2)nc(-c2ccccc2)n1.CC.
What is the InChIKey of 4-bromo-2,6-diphenylpyrimidine;ethane?
The InChIKey is BBPPAPLADIMPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2.C2H6/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13;1-2/h1-11H;1-2H3.
What are the key properties of 4-bromo-2,6-diphenylpyrimidine;ethane?
4-bromo-2,6-diphenylpyrimidine;ethane has a molecular weight of 341.25 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-diphenylpyrimidine;ethane is sourced from PubChem (CID 142370256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).