1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine

C15H19N3O — CID 102951072

IUPAC1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cc(OC)ncn1
InChIInChI=1S/C15H19N3O/c1-11-4-6-12(7-5-11)8-13(16-2)14-9-15(19-3)18-10-17-14/h4-7,9-10,13,16H,8H2,1-3H3
InChIKeyHEYNAYMDNQEEFZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.30
Rot. Bonds5

About 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine

1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 102951072) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID102951072
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cc(OC)ncn1
InChIInChI=1S/C15H19N3O/c1-11-4-6-12(7-5-11)8-13(16-2)14-9-15(19-3)18-10-17-14/h4-7,9-10,13,16H,8H2,1-3H3
InChIKeyHEYNAYMDNQEEFZ-UHFFFAOYSA-N
XLogP2.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951077
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 102951091
N-ethyl-2-(4-ethylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102951640
2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951355
2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951155
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 102951016
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 102951244
2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102950996
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 102951147
N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102950983
2-ethyl-1-(6-methoxypyrimidin-4-yl)-N-methylbutan-1-amine
CID 102951200

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine (CID 102951072) is 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)c1cc(OC)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is HEYNAYMDNQEEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-4-6-12(7-5-11)8-13(16-2)14-9-15(19-3)18-10-17-14/h4-7,9-10,13,16H,8H2,1-3H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine?
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 102951072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).