4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine

C13H14BrN3O — CID 113303074

IUPAC4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine
SMILESCC(C)c1cc(Br)ccc1Oc1ccnc(N)n1
InChIInChI=1S/C13H14BrN3O/c1-8(2)10-7-9(14)3-4-11(10)18-12-5-6-16-13(15)17-12/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyIHDDCXGPSVWFSF-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.74
Rot. Bonds3

About 4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine

4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine (PubChem CID 113303074) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine
PubChem CID113303074
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine
SMILESCC(C)c1cc(Br)ccc1Oc1ccnc(N)n1
InChIInChI=1S/C13H14BrN3O/c1-8(2)10-7-9(14)3-4-11(10)18-12-5-6-16-13(15)17-12/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyIHDDCXGPSVWFSF-UHFFFAOYSA-N
XLogP3.74
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine
CID 115401558
6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 113303072
[6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine
CID 115402686
4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
CID 113302886
2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine
CID 115402257
6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
CID 115403080
3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 115402194
2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline
CID 65216802
N-[[2-(4-bromo-2-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 115402661
(4-bromo-2-propan-2-ylphenoxy)-trimethylsilane
CID 167738069
2-(4-bromo-2-propan-2-ylphenoxy)-4,5-dichloroaniline
CID 115401583

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine (CID 113303074) is 4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine is CC(C)c1cc(Br)ccc1Oc1ccnc(N)n1.
What is the InChIKey of 4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine?
The InChIKey is IHDDCXGPSVWFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8(2)10-7-9(14)3-4-11(10)18-12-5-6-16-13(15)17-12/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine?
4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine has a molecular weight of 308.18 g/mol, XLogP of 3.74, 3 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)pyrimidin-2-amine is sourced from PubChem (CID 113303074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).