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

C14H6BrCl2FN2S — CID 79431886

IUPAC2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-fluorophenyl)pyrimidine
SMILESFc1ccc(-c2c(Cl)nc(-c3cc(Br)cs3)nc2Cl)cc1
InChIInChI=1S/C14H6BrCl2FN2S/c15-8-5-10(21-6-8)14-19-12(16)11(13(17)20-14)7-1-3-9(18)4-2-7/h1-6H
InChIKeyDKVODNJZGBSBKU-UHFFFAOYSA-N
MW404.09 g/mol
LogP6.08
Rot. Bonds2

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

2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-fluorophenyl)pyrimidine (PubChem CID 79431886) has the molecular formula C14H6BrCl2FN2S and a molecular weight of 404.09 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-fluorophenyl)pyrimidine
PubChem CID79431886
Molecular FormulaC14H6BrCl2FN2S
Molecular Weight404.09 g/mol
Exact Mass401.88
IUPAC Name2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-fluorophenyl)pyrimidine
SMILESFc1ccc(-c2c(Cl)nc(-c3cc(Br)cs3)nc2Cl)cc1
InChIInChI=1S/C14H6BrCl2FN2S/c15-8-5-10(21-6-8)14-19-12(16)11(13(17)20-14)7-1-3-9(18)4-2-7/h1-6H
InChIKeyDKVODNJZGBSBKU-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-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-fluorophenyl)pyrimidine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-fluorophenyl)pyrimidine (CID 79431886) is 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-fluorophenyl)pyrimidine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-fluorophenyl)pyrimidine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-fluorophenyl)pyrimidine is Fc1ccc(-c2c(Cl)nc(-c3cc(Br)cs3)nc2Cl)cc1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-fluorophenyl)pyrimidine?
The InChIKey is DKVODNJZGBSBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrCl2FN2S/c15-8-5-10(21-6-8)14-19-12(16)11(13(17)20-14)7-1-3-9(18)4-2-7/h1-6H.
What are the key properties of 2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-fluorophenyl)pyrimidine?
2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-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-(4-bromothiophen-2-yl)-4,6-dichloro-5-(4-fluorophenyl)pyrimidine is sourced from PubChem (CID 79431886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).