(1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine

C15H19N3O — CID 103432032

IUPAC(1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
SMILESCOc1ccccc1Cc1ncc([C@H](C)N)c(C)n1
InChIInChI=1S/C15H19N3O/c1-10(16)13-9-17-15(18-11(13)2)8-12-6-4-5-7-14(12)19-3/h4-7,9-10H,8,16H2,1-3H3/t10-/m0/s1
InChIKeyJDRZNETWFGJDBL-JTQLQIEISA-N
MW257.34 g/mol
LogP2.40
Rot. Bonds4

About (1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine

(1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 103432032) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
PubChem CID103432032
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
SMILESCOc1ccccc1Cc1ncc([C@H](C)N)c(C)n1
InChIInChI=1S/C15H19N3O/c1-10(16)13-9-17-15(18-11(13)2)8-12-6-4-5-7-14(12)19-3/h4-7,9-10H,8,16H2,1-3H3/t10-/m0/s1
InChIKeyJDRZNETWFGJDBL-JTQLQIEISA-N
XLogP2.40
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 62771730
(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine
CID 103431682
2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62746485
1-[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]propan-2-amine
CID 55114291
(1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine
CID 103431680
[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]methanol
CID 115070027
(1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine
CID 94587586
(1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103432077
1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol
CID 62770681
(1R)-1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol
CID 103431391
5-(chloromethyl)-2-[(2-methoxyphenyl)methyl]pyrimidine
CID 55114023
[2-[(2-methoxyphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757708

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of (1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine (CID 103432032) is (1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine is COc1ccccc1Cc1ncc([C@H](C)N)c(C)n1.
What is the InChIKey of (1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is JDRZNETWFGJDBL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(16)13-9-17-15(18-11(13)2)8-12-6-4-5-7-14(12)19-3/h4-7,9-10H,8,16H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine?
(1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 103432032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).