4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine

C14H15BrClN3O — CID 115403079

IUPAC4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(Oc2ccc(Br)cc2C(C)C)n1
InChIInChI=1S/C14H15BrClN3O/c1-8(2)10-6-9(15)4-5-12(10)20-13-11(16)7-18-14(17-3)19-13/h4-8H,1-3H3,(H,17,18,19)
InChIKeyAAUGOLOSTGAFTQ-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.85
Rot. Bonds4

About 4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine

4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine (PubChem CID 115403079) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
PubChem CID115403079
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(Oc2ccc(Br)cc2C(C)C)n1
InChIInChI=1S/C14H15BrClN3O/c1-8(2)10-6-9(15)4-5-12(10)20-13-11(16)7-18-14(17-3)19-13/h4-8H,1-3H3,(H,17,18,19)
InChIKeyAAUGOLOSTGAFTQ-UHFFFAOYSA-N
XLogP4.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-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

4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 80879248
[4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine
CID 115403150
5-chloro-N-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874319
1-[2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928961
4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80878835
[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
CID 115402665
6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine
CID 115403123
3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine
CID 113302971
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80875963
5-chloro-N-methyl-4-(3-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80883410
5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877850

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine (CID 115403079) is 4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine is CNc1ncc(Cl)c(Oc2ccc(Br)cc2C(C)C)n1.
What is the InChIKey of 4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine?
The InChIKey is AAUGOLOSTGAFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-8(2)10-6-9(15)4-5-12(10)20-13-11(16)7-18-14(17-3)19-13/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of 4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine?
4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine has a molecular weight of 356.65 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 115403079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).