2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine

C49H33BrCl4N6 — CID 139269948

IUPAC2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine
SMILESCc1cccc(-c2nc(Cl)cc(-c3ccccc3)n2)c1.Clc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1.Clc1cccc(-c2nc(Cl)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H13ClN2.C16H10BrClN2.C16H10Cl2N2/c1-12-6-5-9-14(10-12)17-19-15(11-16(18)20-17)13-7-3-2-4-8-13;17-13-8-6-12(7-9-13)16-19-14(10-15(18)20-16)11-4-2-1-3-5-11;17-13-8-4-7-12(9-13)16-19-14(10-15(18)20-16)11-5-2-1-3-6-11/h2-11H,1H3;2*1-10H
InChIKeyTUWHNSQNXQZOEP-UHFFFAOYSA-N
MW927.56 g/mol
LogP15.12
Rot. Bonds6

About 2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine

2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine (PubChem CID 139269948) has the molecular formula C49H33BrCl4N6 and a molecular weight of 927.56 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine
PubChem CID139269948
Molecular FormulaC49H33BrCl4N6
Molecular Weight927.56 g/mol
Exact Mass924.07
IUPAC Name2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine
SMILESCc1cccc(-c2nc(Cl)cc(-c3ccccc3)n2)c1.Clc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1.Clc1cccc(-c2nc(Cl)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H13ClN2.C16H10BrClN2.C16H10Cl2N2/c1-12-6-5-9-14(10-12)17-19-15(11-16(18)20-17)13-7-3-2-4-8-13;17-13-8-6-12(7-9-13)16-19-14(10-15(18)20-16)11-4-2-1-3-5-11;17-13-8-4-7-12(9-13)16-19-14(10-15(18)20-16)11-5-2-1-3-6-11/h2-11H,1H3;2*1-10H
InChIKeyTUWHNSQNXQZOEP-UHFFFAOYSA-N
XLogP15.12
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.56
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine
CID 171832705
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162112872
2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine
CID 82790034
2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059
2-(3-bromo-4-chlorophenyl)-4-chloro-6-phenylpyrimidine
CID 115565748
4-chloro-2,6-diphenylpyrimidine;(3-chlorophenyl)boronic acid;4-(3-chlorophenyl)-2,6-diphenylpyrimidine
CID 159075593
4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine
CID 115915028
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine?
The IUPAC name of 2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine (CID 139269948) is 2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine is Cc1cccc(-c2nc(Cl)cc(-c3ccccc3)n2)c1.Clc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1.Clc1cccc(-c2nc(Cl)cc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine?
The InChIKey is TUWHNSQNXQZOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2.C16H10BrClN2.C16H10Cl2N2/c1-12-6-5-9-14(10-12)17-19-15(11-16(18)20-17)13-7-3-2-4-8-13;17-13-8-6-12(7-9-13)16-19-14(10-15(18)20-16)11-4-2-1-3-5-11;17-13-8-4-7-12(9-13)16-19-14(10-15(18)20-16)11-5-2-1-3-6-11/h2-11H,1H3;2*1-10H.
What are the key properties of 2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine?
2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine has a molecular weight of 927.56 g/mol, XLogP of 15.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 139269948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).