6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine

C15H18BrN3O — CID 80988049

IUPAC6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(Oc2ccc(C)cc2Br)n1
InChIInChI=1S/C15H18BrN3O/c1-5-13-18-14(17-4)10(3)15(19-13)20-12-7-6-9(2)8-11(12)16/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyXXTBBJGNSQIPMZ-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.25
Rot. Bonds4

About 6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine

6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80988049) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80988049
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(Oc2ccc(C)cc2Br)n1
InChIInChI=1S/C15H18BrN3O/c1-5-13-18-14(17-4)10(3)15(19-13)20-12-7-6-9(2)8-11(12)16/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyXXTBBJGNSQIPMZ-UHFFFAOYSA-N
XLogP4.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80988091
6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80988469
6-(2-bromo-4-chlorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989565
[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80940833
6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80989830
6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80881304
6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80860005
6-(4-chloro-3-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 82718447
4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80977275
2-ethyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988466
2-ethyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988826
2-ethyl-6-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-4-amine
CID 80989583

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine (CID 80988049) is 6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(NC)c(C)c(Oc2ccc(C)cc2Br)n1.
What is the InChIKey of 6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is XXTBBJGNSQIPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-5-13-18-14(17-4)10(3)15(19-13)20-12-7-6-9(2)8-11(12)16/h6-8H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80988049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).