6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine

C15H18BrN3O — CID 107727376

IUPAC6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H18BrN3O/c1-4-5-12-14(17)18-8-19-15(12)20-11-6-9(2)13(16)10(3)7-11/h6-8H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyKARIUSMNULGRDZ-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.18
Rot. Bonds4

About 6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine

6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine (PubChem CID 107727376) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
PubChem CID107727376
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H18BrN3O/c1-4-5-12-14(17)18-8-19-15(12)20-11-6-9(2)13(16)10(3)7-11/h6-8H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyKARIUSMNULGRDZ-UHFFFAOYSA-N
XLogP4.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloro-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80874729
4-(4-bromo-3,5-dimethylphenoxy)-6-chloro-5-propylpyrimidine
CID 107723178
6-(4-bromophenoxy)-5-propylpyrimidin-4-amine
CID 80864434
4-(4-bromo-3,5-dimethylphenoxy)-6-propoxypyrimidin-5-amine
CID 107722498
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474
6-(4-bromo-3,5-dimethylphenoxy)-5-methoxypyrimidin-4-amine
CID 107727388
6-(2,4-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80862753
6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine
CID 104708785
6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80864705
6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine
CID 80878010
6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine
CID 80876347
5-propyl-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315866

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine (CID 107727376) is 6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1Oc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine?
The InChIKey is KARIUSMNULGRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-4-5-12-14(17)18-8-19-15(12)20-11-6-9(2)13(16)10(3)7-11/h6-8H,4-5H2,1-3H3,(H2,17,18,19).
What are the key properties of 6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine?
6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 107727376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).