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

C14H7Br2ClN2S — CID 66294342

IUPAC5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine
SMILESClc1nc(-c2cc(Br)cs2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C14H7Br2ClN2S/c15-9-6-10(20-7-9)14-18-12(11(16)13(17)19-14)8-4-2-1-3-5-8/h1-7H
InChIKeyVDZPUUVPIWCTEJ-UHFFFAOYSA-N
MW430.55 g/mol
LogP6.05
Rot. Bonds2

About 5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine

5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine (PubChem CID 66294342) has the molecular formula C14H7Br2ClN2S and a molecular weight of 430.55 g/mol. Its IUPAC name is 5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine
PubChem CID66294342
Molecular FormulaC14H7Br2ClN2S
Molecular Weight430.55 g/mol
Exact Mass427.84
IUPAC Name5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine
SMILESClc1nc(-c2cc(Br)cs2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C14H7Br2ClN2S/c15-9-6-10(20-7-9)14-18-12(11(16)13(17)19-14)8-4-2-1-3-5-8/h1-7H
InChIKeyVDZPUUVPIWCTEJ-UHFFFAOYSA-N
XLogP6.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine?
The IUPAC name of 5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine (CID 66294342) is 5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine.
What is the SMILES notation for 5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine?
The canonical SMILES for 5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine is Clc1nc(-c2cc(Br)cs2)nc(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine?
The InChIKey is VDZPUUVPIWCTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2ClN2S/c15-9-6-10(20-7-9)14-18-12(11(16)13(17)19-14)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine?
5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine has a molecular weight of 430.55 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromothiophen-2-yl)-4-chloro-6-phenylpyrimidine is sourced from PubChem (CID 66294342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).