2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine

C14H15BrFN3O — CID 102951155

IUPAC2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1cc(OC)ncn1
InChIInChI=1S/C14H15BrFN3O/c1-17-12(13-7-14(20-2)19-8-18-13)5-9-3-10(15)6-11(16)4-9/h3-4,6-8,12,17H,5H2,1-2H3
InChIKeyKRZUUZOSYDXFMM-UHFFFAOYSA-N
MW340.20 g/mol
LogP2.89
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine

2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine (PubChem CID 102951155) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
PubChem CID102951155
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1cc(OC)ncn1
InChIInChI=1S/C14H15BrFN3O/c1-17-12(13-7-14(20-2)19-8-18-13)5-9-3-10(15)6-11(16)4-9/h3-4,6-8,12,17H,5H2,1-2H3
InChIKeyKRZUUZOSYDXFMM-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 102951072
2-(4-ethylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951077
2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951355
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 102951091
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 102951016
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105169477
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 79709700
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102951934
2-(3-bromo-5-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105015525
2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102950996
2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 79703082

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine (CID 102951155) is 2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine is CNC(Cc1cc(F)cc(Br)c1)c1cc(OC)ncn1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
The InChIKey is KRZUUZOSYDXFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-17-12(13-7-14(20-2)19-8-18-13)5-9-3-10(15)6-11(16)4-9/h3-4,6-8,12,17H,5H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine has a molecular weight of 340.20 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine is sourced from PubChem (CID 102951155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).