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

C13H13BrClN3O — CID 80882073

IUPAC6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H13BrClN3O/c1-3-9-12(16-2)17-7-18-13(9)19-11-5-4-8(14)6-10(11)15/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyQZMPPYHWMPKGDZ-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.29
Rot. Bonds4

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

6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80882073) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID80882073
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H13BrClN3O/c1-3-9-12(16-2)17-7-18-13(9)19-11-5-4-8(14)6-10(11)15/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyQZMPPYHWMPKGDZ-UHFFFAOYSA-N
XLogP4.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine
CID 63735722
6-(4-bromo-2,5-dichlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 107662592
6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869748
6-(2,5-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80863980
6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 82825139
4-N-(5-bromo-2-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80804931
6-(2-chloro-5-nitrophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80880394
N,5-diethyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
CID 80865608
4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 115401775
[6-(2-chloro-4-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80930789
6-(2-bromo-5-nitrophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 103013790
6-(2,3-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80864818

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine (CID 80882073) is 6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of 6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is QZMPPYHWMPKGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-3-9-12(16-2)17-7-18-13(9)19-11-5-4-8(14)6-10(11)15/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine?
6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 342.62 g/mol, XLogP of 4.29, 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-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80882073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).