2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine

C13H10BrCl2FN2 — CID 107923785

IUPAC2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2cc(F)ccc2Br)nc1Cl
InChIInChI=1S/C13H10BrCl2FN2/c1-2-3-8-11(15)18-13(19-12(8)16)9-6-7(17)4-5-10(9)14/h4-6H,2-3H2,1H3
InChIKeyAKCULKUVNNXJBE-UHFFFAOYSA-N
MW364.05 g/mol
LogP5.30
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine

2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine (PubChem CID 107923785) has the molecular formula C13H10BrCl2FN2 and a molecular weight of 364.05 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine
PubChem CID107923785
Molecular FormulaC13H10BrCl2FN2
Molecular Weight364.05 g/mol
Exact Mass361.94
IUPAC Name2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2cc(F)ccc2Br)nc1Cl
InChIInChI=1S/C13H10BrCl2FN2/c1-2-3-8-11(15)18-13(19-12(8)16)9-6-7(17)4-5-10(9)14/h4-6H,2-3H2,1H3
InChIKeyAKCULKUVNNXJBE-UHFFFAOYSA-N
XLogP5.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.05
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine
CID 103083580
2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 107924270
3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 107924268
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 107924001
5-bromo-4,6-dichloro-2-(5-fluoro-2-methylphenyl)pyrimidine
CID 66314548
4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine
CID 63611318
4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 63613658
4,6-dichloro-2-(2-ethylphenyl)-5-propylpyrimidine
CID 63613349
3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine
CID 107924739
N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 107924174
2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine
CID 63613660
4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine
CID 62944331

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine (CID 107923785) is 2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine is CCCc1c(Cl)nc(-c2cc(F)ccc2Br)nc1Cl.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine?
The InChIKey is AKCULKUVNNXJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2FN2/c1-2-3-8-11(15)18-13(19-12(8)16)9-6-7(17)4-5-10(9)14/h4-6H,2-3H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine?
2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine has a molecular weight of 364.05 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine is sourced from PubChem (CID 107923785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).