2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine

C14H6BrCl2FN2S — CID 115380847

IUPAC2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine
SMILESFc1ccccc1-c1c(Cl)nc(-c2sccc2Br)nc1Cl
InChIInChI=1S/C14H6BrCl2FN2S/c15-8-5-6-21-11(8)14-19-12(16)10(13(17)20-14)7-3-1-2-4-9(7)18/h1-6H
InChIKeySXLRJDKATJVSOC-UHFFFAOYSA-N
MW404.09 g/mol
LogP6.08
Rot. Bonds2

About 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine

2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine (PubChem CID 115380847) has the molecular formula C14H6BrCl2FN2S and a molecular weight of 404.09 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine
PubChem CID115380847
Molecular FormulaC14H6BrCl2FN2S
Molecular Weight404.09 g/mol
Exact Mass401.88
IUPAC Name2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine
SMILESFc1ccccc1-c1c(Cl)nc(-c2sccc2Br)nc1Cl
InChIInChI=1S/C14H6BrCl2FN2S/c15-8-5-6-21-11(8)14-19-12(16)10(13(17)20-14)7-3-1-2-4-9(7)18/h1-6H
InChIKeySXLRJDKATJVSOC-UHFFFAOYSA-N
XLogP6.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.09
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine
CID 115380846
2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine
CID 79435171
2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 115380805
4,6-dichloro-5-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)pyrimidine
CID 79435355
4,6-dichloro-5-(2-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)pyrimidine
CID 79440042
1-bromo-3-fluoro-2-(2-fluorophenyl)benzene
CID 125457696
5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine
CID 113390303
5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine
CID 79435454
5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine
CID 79438940
4,6-dichloro-5-(2-fluorophenyl)-2-(1-methylsulfonylethyl)pyrimidine
CID 116633044
5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine
CID 79434225
2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine
CID 115380799

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine (CID 115380847) is 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine is Fc1ccccc1-c1c(Cl)nc(-c2sccc2Br)nc1Cl.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine?
The InChIKey is SXLRJDKATJVSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrCl2FN2S/c15-8-5-6-21-11(8)14-19-12(16)10(13(17)20-14)7-3-1-2-4-9(7)18/h1-6H.
What are the key properties of 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine?
2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine has a molecular weight of 404.09 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine is sourced from PubChem (CID 115380847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).