6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C16H20BrN3O — CID 107287481

IUPAC6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(Oc2cc(Br)ccc2C)c1C
InChIInChI=1S/C16H20BrN3O/c1-9(2)14-19-15(18-5)11(4)16(20-14)21-13-8-12(17)7-6-10(13)3/h6-9H,1-5H3,(H,18,19,20)
InChIKeyHTJZBJYLLIFMBD-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.81
Rot. Bonds4

About 6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 107287481) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID107287481
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(Oc2cc(Br)ccc2C)c1C
InChIInChI=1S/C16H20BrN3O/c1-9(2)14-19-15(18-5)11(4)16(20-14)21-13-8-12(17)7-6-10(13)3/h6-9H,1-5H3,(H,18,19,20)
InChIKeyHTJZBJYLLIFMBD-UHFFFAOYSA-N
XLogP4.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80990394
6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 107287427
[6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001299
6-[(3-bromophenyl)methoxy]-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 82807711
6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
CID 107287594
[6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 107287696
[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 107287677
3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]oxybenzonitrile
CID 80988952
2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine
CID 107284442
6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80990914
1-[4-bromo-2-(5-bromo-2-methylphenoxy)phenyl]-N-methylethanamine
CID 107284810
6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80988091

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 107287481) is 6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(Oc2cc(Br)ccc2C)c1C.
What is the InChIKey of 6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is HTJZBJYLLIFMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-9(2)14-19-15(18-5)11(4)16(20-14)21-13-8-12(17)7-6-10(13)3/h6-9H,1-5H3,(H,18,19,20).
What are the key properties of 6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107287481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).