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

C11H8Br2ClN3O — CID 79073075

IUPAC5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine
SMILESCOc1ccc(Br)cc1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C11H8Br2ClN3O/c1-18-9-3-2-6(12)4-8(9)16-10-7(13)5-15-11(14)17-10/h2-5H,1H3,(H,15,16,17)
InChIKeyGZUFINFCSMOSEW-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.41
Rot. Bonds3

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

5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine (PubChem CID 79073075) has the molecular formula C11H8Br2ClN3O and a molecular weight of 393.47 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine
PubChem CID79073075
Molecular FormulaC11H8Br2ClN3O
Molecular Weight393.47 g/mol
Exact Mass390.87
IUPAC Name5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine
SMILESCOc1ccc(Br)cc1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C11H8Br2ClN3O/c1-18-9-3-2-6(12)4-8(9)16-10-7(13)5-15-11(14)17-10/h2-5H,1H3,(H,15,16,17)
InChIKeyGZUFINFCSMOSEW-UHFFFAOYSA-N
XLogP4.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(5-bromo-2-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80785165
N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102761817
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
4-N-(5-bromo-2-methoxyphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80804520
5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
CID 82766176
5-bromo-2-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-4-amine
CID 79075751
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530
N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine
CID 102824089
N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 62858053
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
5-bromo-N-(2-bromo-4-fluorophenyl)-2-chloropyrimidin-4-amine
CID 79075641

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine (CID 79073075) is 5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine is COc1ccc(Br)cc1Nc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine?
The InChIKey is GZUFINFCSMOSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClN3O/c1-18-9-3-2-6(12)4-8(9)16-10-7(13)5-15-11(14)17-10/h2-5H,1H3,(H,15,16,17).
What are the key properties of 5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine?
5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine has a molecular weight of 393.47 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine is sourced from PubChem (CID 79073075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).