6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine

C12H11BrClN3O — CID 80941349

IUPAC6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C12H11BrClN3O/c1-2-11-16-10(15)6-12(17-11)18-9-4-3-7(14)5-8(9)13/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyYSPANLRLJIGHCD-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.83
Rot. Bonds3

About 6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine

6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine (PubChem CID 80941349) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine
PubChem CID80941349
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C12H11BrClN3O/c1-2-11-16-10(15)6-12(17-11)18-9-4-3-7(14)5-8(9)13/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyYSPANLRLJIGHCD-UHFFFAOYSA-N
XLogP3.83
TPSA61.03 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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine
CID 80937801
6-(4-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80941048
6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
CID 80950356
6-(2-bromo-4-chlorophenoxy)-2-cyclopropylpyrimidin-4-amine
CID 80965409
6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine
CID 80949844
6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine
CID 80942481
2-ethyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
CID 80941255
6-(4-bromo-2-chlorophenoxy)-2-propylpyrimidin-4-amine
CID 80949627
6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
CID 80941277
4-chloro-6-(4-chloro-2-methylphenoxy)-2-ethylpyrimidine
CID 80944599
[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80940833
6-(2-bromo-4-chlorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989565

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine (CID 80941349) is 6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine is CCc1nc(N)cc(Oc2ccc(Cl)cc2Br)n1.
What is the InChIKey of 6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine?
The InChIKey is YSPANLRLJIGHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-2-11-16-10(15)6-12(17-11)18-9-4-3-7(14)5-8(9)13/h3-6H,2H2,1H3,(H2,15,16,17).
What are the key properties of 6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine?
6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine has a molecular weight of 328.60 g/mol, XLogP of 3.83, 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)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80941349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).