6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine

C13H13BrClN3O — CID 80881304

IUPAC6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Oc2ccc(Cl)cc2Br)c1C
InChIInChI=1S/C13H13BrClN3O/c1-7-12(16-3)17-8(2)18-13(7)19-11-5-4-9(15)6-10(11)14/h4-6H,1-3H3,(H,16,17,18)
InChIKeyIUCHERNZXKYSGD-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.34
Rot. Bonds3

About 6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine

6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 80881304) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
PubChem CID80881304
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Oc2ccc(Cl)cc2Br)c1C
InChIInChI=1S/C13H13BrClN3O/c1-7-12(16-3)17-8(2)18-13(7)19-11-5-4-9(15)6-10(11)14/h4-6H,1-3H3,(H,16,17,18)
InChIKeyIUCHERNZXKYSGD-UHFFFAOYSA-N
XLogP4.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine with MolForge

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Related Compounds

6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 107287427
6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80862724
6-(2-bromo-4-chlorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989565
6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine
CID 80877684
6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80988049
6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80990394
4-(2-bromo-4-methoxyphenoxy)-6-chloro-2,5-dimethylpyrimidine
CID 104707040
6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80880527
6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80870728
6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80864394
6-(2-bromo-4-chlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 38739779
5-(2-bromo-4-chlorophenoxy)-3-methyl-1,2,4-thiadiazole
CID 133424725

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine (CID 80881304) is 6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(Oc2ccc(Cl)cc2Br)c1C.
What is the InChIKey of 6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is IUCHERNZXKYSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-7-12(16-3)17-8(2)18-13(7)19-11-5-4-9(15)6-10(11)14/h4-6H,1-3H3,(H,16,17,18).
What are the key properties of 6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine?
6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 342.62 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 80881304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).