5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine

C11H8Br2ClN3 — CID 82766176

IUPAC5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
SMILESCc1ccc(Br)c(Nc2nc(Cl)ncc2Br)c1
InChIInChI=1S/C11H8Br2ClN3/c1-6-2-3-7(12)9(4-6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H,15,16,17)
InChIKeyOYMSKHSTEGODBF-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.71
Rot. Bonds2

About 5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine

5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine (PubChem CID 82766176) has the molecular formula C11H8Br2ClN3 and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
PubChem CID82766176
Molecular FormulaC11H8Br2ClN3
Molecular Weight377.47 g/mol
Exact Mass374.88
IUPAC Name5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
SMILESCc1ccc(Br)c(Nc2nc(Cl)ncc2Br)c1
InChIInChI=1S/C11H8Br2ClN3/c1-6-2-3-7(12)9(4-6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H,15,16,17)
InChIKeyOYMSKHSTEGODBF-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
N-(2-bromo-5-methylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102762492
5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine
CID 79075215
N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine
CID 82766697
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
5-bromo-N-(2-bromo-4-fluorophenyl)-2-chloropyrimidin-4-amine
CID 79075641
5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine
CID 79073075
N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 82766798
5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 79076161
5-bromo-N-(2-bromo-5-methylphenyl)-4-methylpyridin-2-amine
CID 114870518
4-N-(2-bromo-5-methylphenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine
CID 82758297

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine (CID 82766176) is 5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine is Cc1ccc(Br)c(Nc2nc(Cl)ncc2Br)c1.
What is the InChIKey of 5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine?
The InChIKey is OYMSKHSTEGODBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClN3/c1-6-2-3-7(12)9(4-6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H,15,16,17).
What are the key properties of 5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine?
5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine has a molecular weight of 377.47 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine is sourced from PubChem (CID 82766176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).