2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine

C20H23N3OS — CID 46994736

IUPAC2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1cnc(-c2cccc(C)c2)nc1)Cc1cccs1
InChIInChI=1S/C20H23N3OS/c1-16-5-3-6-18(11-16)20-21-12-17(13-22-20)14-23(8-9-24-2)15-19-7-4-10-25-19/h3-7,10-13H,8-9,14-15H2,1-2H3
InChIKeyMKQPUWRJECKFLJ-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.16
Rot. Bonds8

About 2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine

2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 46994736) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID46994736
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1cnc(-c2cccc(C)c2)nc1)Cc1cccs1
InChIInChI=1S/C20H23N3OS/c1-16-5-3-6-18(11-16)20-21-12-17(13-22-20)14-23(8-9-24-2)15-19-7-4-10-25-19/h3-7,10-13H,8-9,14-15H2,1-2H3
InChIKeyMKQPUWRJECKFLJ-UHFFFAOYSA-N
XLogP4.16
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine (CID 46994736) is 2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine is COCCN(Cc1cnc(-c2cccc(C)c2)nc1)Cc1cccs1.
What is the InChIKey of 2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is MKQPUWRJECKFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-16-5-3-6-18(11-16)20-21-12-17(13-22-20)14-23(8-9-24-2)15-19-7-4-10-25-19/h3-7,10-13H,8-9,14-15H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine?
2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 353.49 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 46994736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).