6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine

C13H14BrN3O — CID 80863794

IUPAC6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3O/c1-8(2)11-12(15)16-7-17-13(11)18-10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyRIXDHCUFFDFIPC-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.74
Rot. Bonds3

About 6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine

6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80863794) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80863794
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3O/c1-8(2)11-12(15)16-7-17-13(11)18-10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyRIXDHCUFFDFIPC-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

4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80869737
5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874994
4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide
CID 80882078
6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80864200
6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80881778
6-(3-bromo-5-nitrophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 103589699
6-(4-bromophenoxy)-5-propylpyrimidin-4-amine
CID 80864434
6-(3-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80880750
6-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylpyrimidin-4-amine
CID 80861603
6-(3-nitrophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80871465
6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine
CID 80865916
5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 114073419

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine (CID 80863794) is 6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(N)ncnc1Oc1ccc(Br)cc1.
What is the InChIKey of 6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is RIXDHCUFFDFIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8(2)11-12(15)16-7-17-13(11)18-10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine?
6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-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 6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80863794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).