2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine

C17H12BrFN2 — CID 154722559

IUPAC2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2cc(F)nc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C17H12BrFN2/c1-11-2-4-12(5-3-11)15-10-16(19)21-17(20-15)13-6-8-14(18)9-7-13/h2-10H,1H3
InChIKeyNKPNRUQGHMSBQA-UHFFFAOYSA-N
MW343.20 g/mol
LogP5.02
Rot. Bonds2

About 2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine

2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine (PubChem CID 154722559) has the molecular formula C17H12BrFN2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine
PubChem CID154722559
Molecular FormulaC17H12BrFN2
Molecular Weight343.20 g/mol
Exact Mass342.02
IUPAC Name2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2cc(F)nc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C17H12BrFN2/c1-11-2-4-12(5-3-11)15-10-16(19)21-17(20-15)13-6-8-14(18)9-7-13/h2-10H,1H3
InChIKeyNKPNRUQGHMSBQA-UHFFFAOYSA-N
XLogP5.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.20
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-Bromophenyl)-6-ethylpyrimidine-2,4-diamine
CID 134626
4-Bromo-2,6-diphenylpyrimidine
CID 817533
4-Amino-2,6-diphenylpyrimidine
CID 619020
BW 50-322
CID 134623
4,5-Dibromo-2,6-diphenylpyrimidine
CID 1023869
N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methylpyrimidin-2-amine
CID 9892513
6-(5-Bromo-2-methyl-phenyl)-N*4*-(4-bromo-phenyl)-pyrimidine-2,4-diamine
CID 11396375
(2-Bromo-4-isopropyl-phenyl)-ethyl-[4-(2-fluoro-phenyl)-6-methyl-pyrimidin-2-yl]-amine
CID 18691327
4-Propyl-6-(4-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile
CID 46882095
2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 57393996
4-(4-Bromophenyl)-6-(trifluoromethyl)-2-pyrimidinylamine
CID 727196
2-(4-Bromophenyl)-4,6-diphenylpyrimidine
CID 609721

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine?
The IUPAC name of 2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine (CID 154722559) is 2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine is Cc1ccc(-c2cc(F)nc(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine?
The InChIKey is NKPNRUQGHMSBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2/c1-11-2-4-12(5-3-11)15-10-16(19)21-17(20-15)13-6-8-14(18)9-7-13/h2-10H,1H3.
What are the key properties of 2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine?
2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine has a molecular weight of 343.20 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine is sourced from PubChem (CID 154722559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).