5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine

C11H7Br2Cl3N4 — CID 162540307

IUPAC5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine
SMILESCc1nc(Cl)nc(C(C)c2nc(Cl)nc(Cl)c2Br)c1Br
InChIInChI=1S/C11H7Br2Cl3N4/c1-3(7-5(12)4(2)17-10(15)18-7)8-6(13)9(14)20-11(16)19-8/h3H,1-2H3
InChIKeyNUMCDFTYYGMMDR-UHFFFAOYSA-N
MW461.37 g/mol
LogP5.21
Rot. Bonds2

About 5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine

5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine (PubChem CID 162540307) has the molecular formula C11H7Br2Cl3N4 and a molecular weight of 461.37 g/mol. Its IUPAC name is 5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine.

Molecular Properties

Compound Name5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine
PubChem CID162540307
Molecular FormulaC11H7Br2Cl3N4
Molecular Weight461.37 g/mol
Exact Mass457.81
IUPAC Name5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine
SMILESCc1nc(Cl)nc(C(C)c2nc(Cl)nc(Cl)c2Br)c1Br
InChIInChI=1S/C11H7Br2Cl3N4/c1-3(7-5(12)4(2)17-10(15)18-7)8-6(13)9(14)20-11(16)19-8/h3H,1-2H3
InChIKeyNUMCDFTYYGMMDR-UHFFFAOYSA-N
XLogP5.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-2,4-dichloro-6-propylpyrimidine
CID 129885494
5-Bromo-2,4-dichloro-6-[(3,3-difluorocyclobutyl)methyl]pyrimidine
CID 157624920
4-(1-Bromoethyl)-6-(1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl)-5-fluoropyrimidine
CID 176478772
6,6'-(Butane-2,3-diyl)bis(2,4-dichloro-5-fluoropyrimidine)
CID 177830764
5-Chloro-4-[1-(5-chloro-6-ethylpyrimidin-4-yl)ethyl]-6-ethylpyrimidine
CID 70828615
5-Bromo-4-chloro-6-cyclobutylpyrimidin-2-amine
CID 141412385
5-Bromo-4-chloro-2-(4-methylcyclohexyl)-6-propylpyrimidine
CID 66292338
5-Bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine
CID 66292539
5-Bromo-4-tert-butyl-6-chloro-2-cyclohexylpyrimidine
CID 66292560
5-Bromo-4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine
CID 66292939
5-Bromo-4-chloro-2-piperidin-1-yl-6-propan-2-ylpyrimidine
CID 66293005
5-Bromo-4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine
CID 66293008

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine?
The IUPAC name of 5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine (CID 162540307) is 5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine.
What is the SMILES notation for 5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine?
The canonical SMILES for 5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine is Cc1nc(Cl)nc(C(C)c2nc(Cl)nc(Cl)c2Br)c1Br.
What is the InChIKey of 5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine?
The InChIKey is NUMCDFTYYGMMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2Cl3N4/c1-3(7-5(12)4(2)17-10(15)18-7)8-6(13)9(14)20-11(16)19-8/h3H,1-2H3.
What are the key properties of 5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine?
5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine has a molecular weight of 461.37 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[1-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)ethyl]-2,6-dichloropyrimidine is sourced from PubChem (CID 162540307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).