2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine

C14H14BrClN2 — CID 43557541

IUPAC2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine
SMILESCC(C)(C)c1cc(Cl)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H14BrClN2/c1-14(2,3)11-8-12(16)18-13(17-11)9-4-6-10(15)7-5-9/h4-8H,1-3H3
InChIKeyGRFXKJBMLZHIMJ-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.86
Rot. Bonds1

About 2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine

2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine (PubChem CID 43557541) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine
PubChem CID43557541
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine
SMILESCC(C)(C)c1cc(Cl)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H14BrClN2/c1-14(2,3)11-8-12(16)18-13(17-11)9-4-6-10(15)7-5-9/h4-8H,1-3H3
InChIKeyGRFXKJBMLZHIMJ-UHFFFAOYSA-N
XLogP4.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine
CID 91620563
4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine
CID 43557554
2-(4-bromophenyl)-6-tert-butylpyrimidin-4-amine
CID 62191727
2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine
CID 113398187
2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 67335182
2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine
CID 118642287
4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine
CID 43557888
2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine
CID 63613484
4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine
CID 62946502
2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole
CID 107124671
4,6-dichloro-2-(4-chlorophenyl)pyrimidine
CID 22353517
4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine
CID 63867311

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine?
The IUPAC name of 2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine (CID 43557541) is 2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine is CC(C)(C)c1cc(Cl)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine?
The InChIKey is GRFXKJBMLZHIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-14(2,3)11-8-12(16)18-13(17-11)9-4-6-10(15)7-5-9/h4-8H,1-3H3.
What are the key properties of 2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine?
2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine has a molecular weight of 325.64 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine is sourced from PubChem (CID 43557541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).