6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine

C14H16BrN3O — CID 107727323

IUPAC6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(C)c(Br)c(C)c2)ncn1
InChIInChI=1S/C14H16BrN3O/c1-4-16-12-7-13(18-8-17-12)19-11-5-9(2)14(15)10(3)6-11/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyBIXCGYKKATZIED-UHFFFAOYSA-N
MW322.21 g/mol
LogP4.08
Rot. Bonds4

About 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine

6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine (PubChem CID 107727323) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine
PubChem CID107727323
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(C)c(Br)c(C)c2)ncn1
InChIInChI=1S/C14H16BrN3O/c1-4-16-12-7-13(18-8-17-12)19-11-5-9(2)14(15)10(3)6-11/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyBIXCGYKKATZIED-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80863903
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine
CID 107727278
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80878239
6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80874308
N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80875006
6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80862829
4-(4-bromo-3,5-dimethylphenoxy)-6-chloropyrimidine
CID 107723121
6-(2-bromo-4-chlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80881299
6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine
CID 107727389
4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 107725685
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80874108

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine (CID 107727323) is 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine is CCNc1cc(Oc2cc(C)c(Br)c(C)c2)ncn1.
What is the InChIKey of 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine?
The InChIKey is BIXCGYKKATZIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-4-16-12-7-13(18-8-17-12)19-11-5-9(2)14(15)10(3)6-11/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine?
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 107727323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).