6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine

C14H16BrN3O2 — CID 104708785

IUPAC6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1ccc(OC)cc1Br
InChIInChI=1S/C14H16BrN3O2/c1-3-4-10-13(16)17-8-18-14(10)20-12-6-5-9(19-2)7-11(12)15/h5-8H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyIRPDYXZPVVCLJD-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.57
Rot. Bonds5

About 6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine

6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine (PubChem CID 104708785) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine
PubChem CID104708785
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1ccc(OC)cc1Br
InChIInChI=1S/C14H16BrN3O2/c1-3-4-10-13(16)17-8-18-14(10)20-12-6-5-9(19-2)7-11(12)15/h5-8H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyIRPDYXZPVVCLJD-UHFFFAOYSA-N
XLogP3.57
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromophenoxy)-5-propylpyrimidin-4-amine
CID 80864434
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474
6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 107727376
6-(2,4-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80862753
4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107089155
5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
CID 80863933
4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
CID 104706575
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propylpyrimidin-4-amine
CID 103176311
6-(2-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80875866
6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine
CID 80878010
6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine
CID 80876347
6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80864705

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine (CID 104708785) is 6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1Oc1ccc(OC)cc1Br.
What is the InChIKey of 6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine?
The InChIKey is IRPDYXZPVVCLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-3-4-10-13(16)17-8-18-14(10)20-12-6-5-9(19-2)7-11(12)15/h5-8H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine?
6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine has a molecular weight of 338.21 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 104708785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).