6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine

C13H12BrCl2N3O — CID 107662592

IUPAC6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C13H12BrCl2N3O/c1-3-7-12(17-2)18-6-19-13(7)20-11-5-9(15)8(14)4-10(11)16/h4-6H,3H2,1-2H3,(H,17,18,19)
InChIKeyBXOGKECUQODCFT-UHFFFAOYSA-N
MW377.07 g/mol
LogP4.94
Rot. Bonds4

About 6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine

6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 107662592) has the molecular formula C13H12BrCl2N3O and a molecular weight of 377.07 g/mol. Its IUPAC name is 6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID107662592
Molecular FormulaC13H12BrCl2N3O
Molecular Weight377.07 g/mol
Exact Mass374.95
IUPAC Name6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C13H12BrCl2N3O/c1-3-7-12(17-2)18-6-19-13(7)20-11-5-9(15)8(14)4-10(11)16/h4-6H,3H2,1-2H3,(H,17,18,19)
InChIKeyBXOGKECUQODCFT-UHFFFAOYSA-N
XLogP4.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.07
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80882073
N,5-diethyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
CID 80865608
6-(2-chloro-5-nitrophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80880394
6-(2,5-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80863980
6-(2-bromo-5-nitrophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 103013790
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869748
6-(2,3-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80864818
6-[(2-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80859300
5-ethyl-N-methyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80882032
6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80860005
6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 82825139

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine (CID 107662592) is 6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1Oc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is BXOGKECUQODCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2N3O/c1-3-7-12(17-2)18-6-19-13(7)20-11-5-9(15)8(14)4-10(11)16/h4-6H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine?
6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 377.07 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 107662592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).