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

C10H6BrCl2N3O — CID 80880367

IUPAC4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine
SMILESNc1ncc(Cl)c(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C10H6BrCl2N3O/c11-5-1-2-6(12)8(3-5)17-9-7(13)4-15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyLHTXPLAISLBAFP-UHFFFAOYSA-N
MW334.99 g/mol
LogP3.92
Rot. Bonds2

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

4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine (PubChem CID 80880367) has the molecular formula C10H6BrCl2N3O and a molecular weight of 334.99 g/mol. Its IUPAC name is 4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine
PubChem CID80880367
Molecular FormulaC10H6BrCl2N3O
Molecular Weight334.99 g/mol
Exact Mass332.91
IUPAC Name4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine
SMILESNc1ncc(Cl)c(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C10H6BrCl2N3O/c11-5-1-2-6(12)8(3-5)17-9-7(13)4-15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyLHTXPLAISLBAFP-UHFFFAOYSA-N
XLogP3.92
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.99
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine
CID 80880013
4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 80879248
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
5-chloro-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869691
4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine
CID 82825368
4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine
CID 103013780
4-(3-bromo-4-fluorophenoxy)-5-chloropyrimidin-2-amine
CID 83238470
5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine
CID 80869678
5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine
CID 80866706
4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80878835
5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine
CID 80881381

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine (CID 80880367) is 4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine is Nc1ncc(Cl)c(Oc2cc(Br)ccc2Cl)n1.
What is the InChIKey of 4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine?
The InChIKey is LHTXPLAISLBAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3O/c11-5-1-2-6(12)8(3-5)17-9-7(13)4-15-10(14)16-9/h1-4H,(H2,14,15,16).
What are the key properties of 4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine?
4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine has a molecular weight of 334.99 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine is sourced from PubChem (CID 80880367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).