2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine

C15H18FN3O — CID 102951355

IUPAC2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1cc(OC)ncn1
InChIInChI=1S/C15H18FN3O/c1-10-6-12(16)5-4-11(10)7-13(17-2)14-8-15(20-3)19-9-18-14/h4-6,8-9,13,17H,7H2,1-3H3
InChIKeyKKWIVJIBZOGLNH-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.44
Rot. Bonds5

About 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine

2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine (PubChem CID 102951355) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
PubChem CID102951355
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1cc(OC)ncn1
InChIInChI=1S/C15H18FN3O/c1-10-6-12(16)5-4-11(10)7-13(17-2)14-8-15(20-3)19-9-18-14/h4-6,8-9,13,17H,7H2,1-3H3
InChIKeyKKWIVJIBZOGLNH-UHFFFAOYSA-N
XLogP2.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.44
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-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102951934
2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950239
2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951155
1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348185
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 102951244
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 102951091
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 102951016
2-(2-bromo-4-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-N-methylethanamine
CID 103374283
2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102950996
N-ethyl-2-(4-ethylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102951640

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine (CID 102951355) is 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine is CNC(Cc1ccc(F)cc1C)c1cc(OC)ncn1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
The InChIKey is KKWIVJIBZOGLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-6-12(16)5-4-11(10)7-13(17-2)14-8-15(20-3)19-9-18-14/h4-6,8-9,13,17H,7H2,1-3H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine?
2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine has a molecular weight of 275.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine is sourced from PubChem (CID 102951355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).