5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine

C15H9BrCl2N2S — CID 79435670

IUPAC5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine
SMILESClc1nc(Cc2cccs2)nc(Cl)c1-c1ccccc1Br
InChIInChI=1S/C15H9BrCl2N2S/c16-11-6-2-1-5-10(11)13-14(17)19-12(20-15(13)18)8-9-4-3-7-21-9/h1-7H,8H2
InChIKeyMPBQJXOEDCNHDQ-UHFFFAOYSA-N
MW400.13 g/mol
LogP5.87
Rot. Bonds3

About 5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine

5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine (PubChem CID 79435670) has the molecular formula C15H9BrCl2N2S and a molecular weight of 400.13 g/mol. Its IUPAC name is 5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine
PubChem CID79435670
Molecular FormulaC15H9BrCl2N2S
Molecular Weight400.13 g/mol
Exact Mass397.90
IUPAC Name5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine
SMILESClc1nc(Cc2cccs2)nc(Cl)c1-c1ccccc1Br
InChIInChI=1S/C15H9BrCl2N2S/c16-11-6-2-1-5-10(11)13-14(17)19-12(20-15(13)18)8-9-4-3-7-21-9/h1-7H,8H2
InChIKeyMPBQJXOEDCNHDQ-UHFFFAOYSA-N
XLogP5.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.13
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine
CID 66294351
4,6-dichloro-5-(4-methylphenyl)-2-(thiophen-2-ylmethyl)pyrimidine
CID 79430093
1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine
CID 79439579
5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine
CID 79438939
5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine
CID 79435454
5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine
CID 79438940
5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine
CID 79434225
5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine
CID 106815034
5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole
CID 102617959
4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
CID 83241447
5-phenyl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 162656743
5-bromo-N-ethyl-6-methyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66306673

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine?
The IUPAC name of 5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine (CID 79435670) is 5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine.
What is the SMILES notation for 5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine?
The canonical SMILES for 5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine is Clc1nc(Cc2cccs2)nc(Cl)c1-c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine?
The InChIKey is MPBQJXOEDCNHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2N2S/c16-11-6-2-1-5-10(11)13-14(17)19-12(20-15(13)18)8-9-4-3-7-21-9/h1-7H,8H2.
What are the key properties of 5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine?
5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine has a molecular weight of 400.13 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine is sourced from PubChem (CID 79435670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).