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

C15H17BrFN3O — CID 80988471

IUPAC6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1Oc1ccc(F)cc1Br
InChIInChI=1S/C15H17BrFN3O/c1-8-12(18)19-14(15(2,3)4)20-13(8)21-11-6-5-9(17)7-10(11)16/h5-7H,1-4H3,(H2,18,19,20)
InChIKeyWPFJHFFFXTWCAN-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.36
Rot. Bonds2

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

6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine (PubChem CID 80988471) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is 6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
PubChem CID80988471
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC Name6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1Oc1ccc(F)cc1Br
InChIInChI=1S/C15H17BrFN3O/c1-8-12(18)19-14(15(2,3)4)20-13(8)21-11-6-5-9(17)7-10(11)16/h5-7H,1-4H3,(H2,18,19,20)
InChIKeyWPFJHFFFXTWCAN-UHFFFAOYSA-N
XLogP4.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-bromo-4-fluorophenoxy)-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

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine (CID 80988471) is 6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine is Cc1c(N)nc(C(C)(C)C)nc1Oc1ccc(F)cc1Br.
What is the InChIKey of 6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine?
The InChIKey is WPFJHFFFXTWCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-8-12(18)19-14(15(2,3)4)20-13(8)21-11-6-5-9(17)7-10(11)16/h5-7H,1-4H3,(H2,18,19,20).
What are the key properties of 6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine?
6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine has a molecular weight of 354.22 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80988471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).