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

C14H6BrCl2FN2S — CID 115380846

IUPAC2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine
SMILESFc1cccc(-c2c(Cl)nc(-c3sccc3Br)nc2Cl)c1
InChIInChI=1S/C14H6BrCl2FN2S/c15-9-4-5-21-11(9)14-19-12(16)10(13(17)20-14)7-2-1-3-8(18)6-7/h1-6H
InChIKeyTWOCHKKFJOVHGG-UHFFFAOYSA-N
MW404.09 g/mol
LogP6.08
Rot. Bonds2

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

2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine (PubChem CID 115380846) 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-(3-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine
PubChem CID115380846
Molecular FormulaC14H6BrCl2FN2S
Molecular Weight404.09 g/mol
Exact Mass401.88
IUPAC Name2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine
SMILESFc1cccc(-c2c(Cl)nc(-c3sccc3Br)nc2Cl)c1
InChIInChI=1S/C14H6BrCl2FN2S/c15-9-4-5-21-11(9)14-19-12(16)10(13(17)20-14)7-2-1-3-8(18)6-7/h1-6H
InChIKeyTWOCHKKFJOVHGG-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

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Related Compounds

2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine
CID 115380847
4,6-dichloro-5-(3-methylphenyl)-2-(3-methylthiophen-2-yl)pyrimidine
CID 79422292
4,6-dichloro-5-(3-fluorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidine
CID 79431922
5-bromo-4-tert-butyl-6-chloro-2-(3-fluorophenyl)pyrimidine
CID 66293992
2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine
CID 115380799
2-(3-bromothiophen-2-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 115380805
2-(3-bromothiophen-2-yl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 113298184
5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine
CID 113390303
methyl 4,6-dichloro-5-(3-fluorophenyl)pyrimidine-2-carboxylate
CID 79440276
4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 142690098
2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine
CID 115380801
5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine
CID 79431669

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine (CID 115380846) is 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine is Fc1cccc(-c2c(Cl)nc(-c3sccc3Br)nc2Cl)c1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine?
The InChIKey is TWOCHKKFJOVHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrCl2FN2S/c15-9-4-5-21-11(9)14-19-12(16)10(13(17)20-14)7-2-1-3-8(18)6-7/h1-6H.
What are the key properties of 2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-fluorophenyl)pyrimidine?
2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(3-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-(3-fluorophenyl)pyrimidine is sourced from PubChem (CID 115380846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).