6-(4-bromophenoxy)-5-propylpyrimidin-4-amine

C13H14BrN3O — CID 80864434

IUPAC6-(4-bromophenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3O/c1-2-3-11-12(15)16-8-17-13(11)18-10-6-4-9(14)5-7-10/h4-8H,2-3H2,1H3,(H2,15,16,17)
InChIKeyRHDFFQXPTKQSEH-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.57
Rot. Bonds4

About 6-(4-bromophenoxy)-5-propylpyrimidin-4-amine

6-(4-bromophenoxy)-5-propylpyrimidin-4-amine (PubChem CID 80864434) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromophenoxy)-5-propylpyrimidin-4-amine
PubChem CID80864434
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name6-(4-bromophenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3O/c1-2-3-11-12(15)16-8-17-13(11)18-10-6-4-9(14)5-7-10/h4-8H,2-3H2,1H3,(H2,15,16,17)
InChIKeyRHDFFQXPTKQSEH-UHFFFAOYSA-N
XLogP3.57
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474
[6-(4-bromophenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80915894
6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 107727376
6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine
CID 104708785
6-(4-chloro-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80874729
5-propyl-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315866
6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863794
6-(2-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80875866
2-[4-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710167
6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine
CID 80876347
6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80864705
6-(2,4-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80862753

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromophenoxy)-5-propylpyrimidin-4-amine (CID 80864434) is 6-(4-bromophenoxy)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromophenoxy)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromophenoxy)-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1Oc1ccc(Br)cc1.
What is the InChIKey of 6-(4-bromophenoxy)-5-propylpyrimidin-4-amine?
The InChIKey is RHDFFQXPTKQSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-2-3-11-12(15)16-8-17-13(11)18-10-6-4-9(14)5-7-10/h4-8H,2-3H2,1H3,(H2,15,16,17).
What are the key properties of 6-(4-bromophenoxy)-5-propylpyrimidin-4-amine?
6-(4-bromophenoxy)-5-propylpyrimidin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80864434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).