6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine

C12H11Br2N3O — CID 80877840

IUPAC6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(Br)cc2Br)nc(C)n1
InChIInChI=1S/C12H11Br2N3O/c1-7-16-11(15-2)6-12(17-7)18-10-4-3-8(13)5-9(10)14/h3-6H,1-2H3,(H,15,16,17)
InChIKeySGSJADSZVIBWQZ-UHFFFAOYSA-N
MW373.05 g/mol
LogP4.14
Rot. Bonds3

About 6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine

6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine (PubChem CID 80877840) has the molecular formula C12H11Br2N3O and a molecular weight of 373.05 g/mol. Its IUPAC name is 6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine
PubChem CID80877840
Molecular FormulaC12H11Br2N3O
Molecular Weight373.05 g/mol
Exact Mass370.93
IUPAC Name6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(Br)cc2Br)nc(C)n1
InChIInChI=1S/C12H11Br2N3O/c1-7-16-11(15-2)6-12(17-7)18-10-4-3-8(13)5-9(10)14/h3-6H,1-2H3,(H,15,16,17)
InChIKeySGSJADSZVIBWQZ-UHFFFAOYSA-N
XLogP4.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80878001
6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine
CID 80866646
[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 107287706
6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine
CID 80876756
6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80874565
6-(2-bromo-4-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881961
6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881920
6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80863475
6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939111
6-(4-chlorophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80863637
6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 104708809
6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774162

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine (CID 80877840) is 6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine is CNc1cc(Oc2ccc(Br)cc2Br)nc(C)n1.
What is the InChIKey of 6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is SGSJADSZVIBWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O/c1-7-16-11(15-2)6-12(17-7)18-10-4-3-8(13)5-9(10)14/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine?
6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 373.05 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80877840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).