4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine

C13H11BrClFN2 — CID 80945263

IUPAC4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C13H11BrClFN2/c1-2-3-13-17-11(7-12(15)18-13)9-6-8(14)4-5-10(9)16/h4-7H,2-3H2,1H3
InChIKeyLRHRVVORXQBZKV-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.65
Rot. Bonds3

About 4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine

4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine (PubChem CID 80945263) has the molecular formula C13H11BrClFN2 and a molecular weight of 329.60 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine
PubChem CID80945263
Molecular FormulaC13H11BrClFN2
Molecular Weight329.60 g/mol
Exact Mass327.98
IUPAC Name4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C13H11BrClFN2/c1-2-3-13-17-11(7-12(15)18-13)9-6-8(14)4-5-10(9)16/h4-7H,2-3H2,1H3
InChIKeyLRHRVVORXQBZKV-UHFFFAOYSA-N
XLogP4.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946081
4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine
CID 80936304
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine
CID 84604363
2-(5-bromo-2-fluorophenyl)-6-chloropyridine
CID 79742890
4-(4-tert-butylphenyl)-6-chloro-2-propylpyrimidine
CID 80946463
2-(5-bromo-2-fluorophenyl)-6-chloropyrazine
CID 79743065
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820
2-(5-bromo-2-fluorophenyl)-6-chloro-4-nitropyridine
CID 114070936
4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine
CID 105395993
6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid
CID 116533195
4-bromo-6-chloro-8-fluoro-2-propylquinazoline
CID 106584157

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine (CID 80945263) is 4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine is CCCc1nc(Cl)cc(-c2cc(Br)ccc2F)n1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine?
The InChIKey is LRHRVVORXQBZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2/c1-2-3-13-17-11(7-12(15)18-13)9-6-8(14)4-5-10(9)16/h4-7H,2-3H2,1H3.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine?
4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine has a molecular weight of 329.60 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine is sourced from PubChem (CID 80945263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).