2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine

C14H8BrClN2S — CID 43557663

IUPAC2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine
SMILESClc1cc(-c2ccccc2)nc(-c2cc(Br)cs2)n1
InChIInChI=1S/C14H8BrClN2S/c15-10-6-12(19-8-10)14-17-11(7-13(16)18-14)9-4-2-1-3-5-9/h1-8H
InChIKeyOCNOLSYRMMPQRZ-UHFFFAOYSA-N
MW351.66 g/mol
LogP5.29
Rot. Bonds2

About 2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine

2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine (PubChem CID 43557663) has the molecular formula C14H8BrClN2S and a molecular weight of 351.66 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine
PubChem CID43557663
Molecular FormulaC14H8BrClN2S
Molecular Weight351.66 g/mol
Exact Mass349.93
IUPAC Name2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine
SMILESClc1cc(-c2ccccc2)nc(-c2cc(Br)cs2)n1
InChIInChI=1S/C14H8BrClN2S/c15-10-6-12(19-8-10)14-17-11(7-13(16)18-14)9-4-2-1-3-5-9/h1-8H
InChIKeyOCNOLSYRMMPQRZ-UHFFFAOYSA-N
XLogP5.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine (CID 43557663) is 2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine is Clc1cc(-c2ccccc2)nc(-c2cc(Br)cs2)n1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine?
The InChIKey is OCNOLSYRMMPQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2S/c15-10-6-12(19-8-10)14-17-11(7-13(16)18-14)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine?
2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine has a molecular weight of 351.66 g/mol, XLogP of 5.29, 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-chloro-6-phenylpyrimidine is sourced from PubChem (CID 43557663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).