6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine

C16H20BrN3O — CID 107287649

IUPAC6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
SMILESCc1ccc(Br)cc1Oc1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C16H20BrN3O/c1-9-6-7-11(17)8-12(9)21-14-10(2)13(18)19-15(20-14)16(3,4)5/h6-8H,1-5H3,(H2,18,19,20)
InChIKeyKZAFFEVIDHMLLH-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.53
Rot. Bonds2

About 6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine

6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine (PubChem CID 107287649) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
PubChem CID107287649
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
SMILESCc1ccc(Br)cc1Oc1nc(C(C)(C)C)nc(N)c1C
InChIInChI=1S/C16H20BrN3O/c1-9-6-7-11(17)8-12(9)21-14-10(2)13(18)19-15(20-14)16(3,4)5/h6-8H,1-5H3,(H2,18,19,20)
InChIKeyKZAFFEVIDHMLLH-UHFFFAOYSA-N
XLogP4.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 80988471
4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine
CID 107283694
4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine
CID 80973130
2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine
CID 80991048
2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine
CID 81341700
2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80989349
2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine
CID 80988187
4-N-(4-bromo-2-methylphenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80976178
[6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 107287696
2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine
CID 107283340
2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine
CID 81346629
6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 107287427

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine (CID 107287649) is 6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine is Cc1ccc(Br)cc1Oc1nc(C(C)(C)C)nc(N)c1C.
What is the InChIKey of 6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine?
The InChIKey is KZAFFEVIDHMLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-9-6-7-11(17)8-12(9)21-14-10(2)13(18)19-15(20-14)16(3,4)5/h6-8H,1-5H3,(H2,18,19,20).
What are the key properties of 6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine?
6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.53, 2 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)-2-tert-butyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 107287649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).