2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine

C30H31BrN2 — CID 118642287

IUPAC2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C30H31BrN2/c1-29(2,3)23-13-7-20(8-14-23)26-19-27(21-9-15-24(16-10-21)30(4,5)6)33-28(32-26)22-11-17-25(31)18-12-22/h7-19H,1-6H3
InChIKeyRJSLSAWTQRPYCS-UHFFFAOYSA-N
MW499.50 g/mol
LogP8.84
Rot. Bonds3

About 2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine

2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine (PubChem CID 118642287) has the molecular formula C30H31BrN2 and a molecular weight of 499.50 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine
PubChem CID118642287
Molecular FormulaC30H31BrN2
Molecular Weight499.50 g/mol
Exact Mass498.17
IUPAC Name2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C30H31BrN2/c1-29(2,3)23-13-7-20(8-14-23)26-19-27(21-9-15-24(16-10-21)30(4,5)6)33-28(32-26)22-11-17-25(31)18-12-22/h7-19H,1-6H3
InChIKeyRJSLSAWTQRPYCS-UHFFFAOYSA-N
XLogP8.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.50
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 67335182
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 170722335
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 121315643
4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 132609554
2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine
CID 43557541
2-(4-bromophenyl)-6-tert-butylpyrimidin-4-amine
CID 62191727
4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 158306088
4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]benzonitrile
CID 44542251
2-(4-bromophenyl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 130452666
4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 130452830

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine?
The IUPAC name of 2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine (CID 118642287) is 2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine is CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine?
The InChIKey is RJSLSAWTQRPYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31BrN2/c1-29(2,3)23-13-7-20(8-14-23)26-19-27(21-9-15-24(16-10-21)30(4,5)6)33-28(32-26)22-11-17-25(31)18-12-22/h7-19H,1-6H3.
What are the key properties of 2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine?
2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine has a molecular weight of 499.50 g/mol, XLogP of 8.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine is sourced from PubChem (CID 118642287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).