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

C13H11BrClFN2 — CID 105395993

IUPAC4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine
SMILESCCCc1nc(Br)cc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H11BrClFN2/c1-2-3-13-17-11(7-12(14)18-13)9-6-8(16)4-5-10(9)15/h4-7H,2-3H2,1H3
InChIKeyQJVCTOXMLBGZIE-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.65
Rot. Bonds3

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

4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine (PubChem CID 105395993) has the molecular formula C13H11BrClFN2 and a molecular weight of 329.60 g/mol. Its IUPAC name is 4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine
PubChem CID105395993
Molecular FormulaC13H11BrClFN2
Molecular Weight329.60 g/mol
Exact Mass327.98
IUPAC Name4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine
SMILESCCCc1nc(Br)cc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H11BrClFN2/c1-2-3-13-17-11(7-12(14)18-13)9-6-8(16)4-5-10(9)15/h4-7H,2-3H2,1H3
InChIKeyQJVCTOXMLBGZIE-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-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 105396158
4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine
CID 80945263
4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine
CID 103132013
6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine
CID 105396176
6-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-propylpyrimidin-4-amine
CID 107576901
2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine
CID 107923785
4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine
CID 80936304
4-chloro-6-(2,4-difluorophenyl)-5-methyl-2-propylpyrimidine
CID 80974834
2-(2-chloro-4-fluorophenyl)-6-propylpyridine
CID 102345824
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine
CID 80939586
2-tert-butyl-6-(2-chloro-5-fluorophenyl)pyrimidin-4-amine
CID 105396107
6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946081

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine?
The IUPAC name of 4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine (CID 105395993) is 4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine.
What is the SMILES notation for 4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine?
The canonical SMILES for 4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine is CCCc1nc(Br)cc(-c2cc(F)ccc2Cl)n1.
What is the InChIKey of 4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine?
The InChIKey is QJVCTOXMLBGZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2/c1-2-3-13-17-11(7-12(14)18-13)9-6-8(16)4-5-10(9)15/h4-7H,2-3H2,1H3.
What are the key properties of 4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine?
4-bromo-6-(2-chloro-5-fluorophenyl)-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-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine is sourced from PubChem (CID 105395993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).