4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine

C12H11BrClN3O — CID 80878835

IUPAC4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C12H11BrClN3O/c1-7-6-16-12(15-2)17-11(7)18-10-5-8(13)3-4-9(10)14/h3-6H,1-2H3,(H,15,16,17)
InChIKeyRSFTWCULMGCOBW-UHFFFAOYSA-N
MW328.60 g/mol
LogP4.03
Rot. Bonds3

About 4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine

4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine (PubChem CID 80878835) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine
PubChem CID80878835
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C12H11BrClN3O/c1-7-6-16-12(15-2)17-11(7)18-10-5-8(13)3-4-9(10)14/h3-6H,1-2H3,(H,15,16,17)
InChIKeyRSFTWCULMGCOBW-UHFFFAOYSA-N
XLogP4.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 80879248
4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 115403079
4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 104708791
4-(5-bromo-2-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 114677329
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80875963
4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80875939
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine
CID 80880367
5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine
CID 80880013
4-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80873875
6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
CID 107287594
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80865391

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine (CID 80878835) is 4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine is CNc1ncc(C)c(Oc2cc(Br)ccc2Cl)n1.
What is the InChIKey of 4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine?
The InChIKey is RSFTWCULMGCOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-7-6-16-12(15-2)17-11(7)18-10-5-8(13)3-4-9(10)14/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine?
4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine has a molecular weight of 328.60 g/mol, XLogP of 4.03, 3 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)-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80878835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).