2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine

C30H22Br2N2 — CID 102228159

IUPAC2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H22Br2N2/c1-19-3-7-21(8-4-19)27-28(22-9-5-20(2)6-10-22)33-30(24-13-17-26(32)18-14-24)34-29(27)23-11-15-25(31)16-12-23/h3-18H,1-2H3
InChIKeyFRFJFSVZXHWGRK-UHFFFAOYSA-N
MW570.33 g/mol
LogP9.29
Rot. Bonds4

About 2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine

2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine (PubChem CID 102228159) has the molecular formula C30H22Br2N2 and a molecular weight of 570.33 g/mol. Its IUPAC name is 2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine
PubChem CID102228159
Molecular FormulaC30H22Br2N2
Molecular Weight570.33 g/mol
Exact Mass568.01
IUPAC Name2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H22Br2N2/c1-19-3-7-21(8-4-19)27-28(22-9-5-20(2)6-10-22)33-30(24-13-17-26(32)18-14-24)34-29(27)23-11-15-25(31)16-12-23/h3-18H,1-2H3
InChIKeyFRFJFSVZXHWGRK-UHFFFAOYSA-N
XLogP9.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.33
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine?
The IUPAC name of 2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine (CID 102228159) is 2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine.
What is the SMILES notation for 2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine?
The canonical SMILES for 2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine is Cc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine?
The InChIKey is FRFJFSVZXHWGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Br2N2/c1-19-3-7-21(8-4-19)27-28(22-9-5-20(2)6-10-22)33-30(24-13-17-26(32)18-14-24)34-29(27)23-11-15-25(31)16-12-23/h3-18H,1-2H3.
What are the key properties of 2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine?
2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine has a molecular weight of 570.33 g/mol, XLogP of 9.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine is sourced from PubChem (CID 102228159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).