(1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine

C15H19N3O — CID 106793249

IUPAC(1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCOc1cc(C)ccc1-c1ncc([C@@H](C)N)c(C)n1
InChIInChI=1S/C15H19N3O/c1-9-5-6-12(14(7-9)19-4)15-17-8-13(10(2)16)11(3)18-15/h5-8,10H,16H2,1-4H3/t10-/m1/s1
InChIKeyDXSDXKGROCSCDT-SNVBAGLBSA-N
MW257.34 g/mol
LogP2.79
Rot. Bonds3

About (1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine

(1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 106793249) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
PubChem CID106793249
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCOc1cc(C)ccc1-c1ncc([C@@H](C)N)c(C)n1
InChIInChI=1S/C15H19N3O/c1-9-5-6-12(14(7-9)19-4)15-17-8-13(10(2)16)11(3)18-15/h5-8,10H,16H2,1-4H3/t10-/m1/s1
InChIKeyDXSDXKGROCSCDT-SNVBAGLBSA-N
XLogP2.79
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106793259
(1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 107915584
1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone
CID 106793219
5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine
CID 106793083
3-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 106789680
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057
1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 55112626
2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 106792974
(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine
CID 103431871
3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 106793273
ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate
CID 106793658
[2-(2-methoxy-4-methylphenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 106793108

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of (1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine (CID 106793249) is (1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine is COc1cc(C)ccc1-c1ncc([C@@H](C)N)c(C)n1.
What is the InChIKey of (1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is DXSDXKGROCSCDT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-5-6-12(14(7-9)19-4)15-17-8-13(10(2)16)11(3)18-15/h5-8,10H,16H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine?
(1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 106793249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).