5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine

C14H15BrFN3O — CID 107171785

IUPAC5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H15BrFN3O/c1-3-6-17-14-18-8-11(15)13(19-14)20-10-5-4-9(2)12(16)7-10/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeySPLSJMHCIOEHML-UHFFFAOYSA-N
MW340.20 g/mol
LogP4.30
Rot. Bonds5

About 5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine

5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine (PubChem CID 107171785) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
PubChem CID107171785
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H15BrFN3O/c1-3-6-17-14-18-8-11(15)13(19-14)20-10-5-4-9(2)12(16)7-10/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeySPLSJMHCIOEHML-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-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80881820
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875789
5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80862949
5-bromo-4-(3-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80869526
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine
CID 80880225
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875373
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 102989227
5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806620

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine (CID 107171785) is 5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine is CCCNc1ncc(Br)c(Oc2ccc(C)c(F)c2)n1.
What is the InChIKey of 5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine?
The InChIKey is SPLSJMHCIOEHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-3-6-17-14-18-8-11(15)13(19-14)20-10-5-4-9(2)12(16)7-10/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine?
5-bromo-4-(3-fluoro-4-methylphenoxy)-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 5-bromo-4-(3-fluoro-4-methylphenoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 107171785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).