5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine

C10H6Br2ClN3O — CID 80880013

IUPAC5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine
SMILESNc1ncc(Br)c(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C10H6Br2ClN3O/c11-5-1-2-7(13)8(3-5)17-9-6(12)4-15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyDLLSQLSPXJHXEG-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.03
Rot. Bonds2

About 5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine

5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine (PubChem CID 80880013) has the molecular formula C10H6Br2ClN3O and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine
PubChem CID80880013
Molecular FormulaC10H6Br2ClN3O
Molecular Weight379.44 g/mol
Exact Mass376.86
IUPAC Name5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine
SMILESNc1ncc(Br)c(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C10H6Br2ClN3O/c11-5-1-2-7(13)8(3-5)17-9-6(12)4-15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyDLLSQLSPXJHXEG-UHFFFAOYSA-N
XLogP4.03
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine
CID 80880367
4-(5-bromo-2-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332585
5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine
CID 104507356
4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 80879248
4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 107662603
[4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol
CID 114215312
5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine
CID 80869635
4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80878835
5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
CID 83134763
2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639815
3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine
CID 79534868
4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881127

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine (CID 80880013) is 5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine is Nc1ncc(Br)c(Oc2cc(Br)ccc2Cl)n1.
What is the InChIKey of 5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine?
The InChIKey is DLLSQLSPXJHXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2ClN3O/c11-5-1-2-7(13)8(3-5)17-9-6(12)4-15-10(14)16-9/h1-4H,(H2,14,15,16).
What are the key properties of 5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine?
5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine has a molecular weight of 379.44 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80880013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).