4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine

C14H15BrFN3O — CID 83238606

IUPAC4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Oc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C14H15BrFN3O/c1-3-6-17-14-18-9(2)7-13(19-14)20-10-4-5-12(16)11(15)8-10/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyDKNHTLYWQYTJGU-UHFFFAOYSA-N
MW340.20 g/mol
LogP4.30
Rot. Bonds5

About 4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine

4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine (PubChem CID 83238606) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine
PubChem CID83238606
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Oc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C14H15BrFN3O/c1-3-6-17-14-18-9(2)7-13(19-14)20-10-4-5-12(16)11(15)8-10/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyDKNHTLYWQYTJGU-UHFFFAOYSA-N
XLogP4.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 83232385
4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80865774
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
[4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870528
4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 80880224
4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80875190
5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 107171785
N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
CID 80864633
4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80874328
4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116794496
N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 80869023

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine (CID 83238606) is 4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(Oc2ccc(F)c(Br)c2)n1.
What is the InChIKey of 4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine?
The InChIKey is DKNHTLYWQYTJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-3-6-17-14-18-9(2)7-13(19-14)20-10-4-5-12(16)11(15)8-10/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine?
4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine has a molecular weight of 340.20 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 83238606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).