N-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine

C20H23N3S — CID 16677892

IUPACN-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCc1ncc(CN(CCc2ccccc2)Cc2cccs2)cn1
InChIInChI=1S/C20H23N3S/c1-2-20-21-13-18(14-22-20)15-23(16-19-9-6-12-24-19)11-10-17-7-4-3-5-8-17/h3-9,12-14H,2,10-11,15-16H2,1H3
InChIKeyHLIQLGAAFJSCGG-UHFFFAOYSA-N
MW337.49 g/mol
LogP4.35
Rot. Bonds8

About N-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine

N-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 16677892) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID16677892
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC NameN-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCc1ncc(CN(CCc2ccccc2)Cc2cccs2)cn1
InChIInChI=1S/C20H23N3S/c1-2-20-21-13-18(14-22-20)15-23(16-19-9-6-12-24-19)11-10-17-7-4-3-5-8-17/h3-9,12-14H,2,10-11,15-16H2,1H3
InChIKeyHLIQLGAAFJSCGG-UHFFFAOYSA-N
XLogP4.35
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine (CID 16677892) is N-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine is CCc1ncc(CN(CCc2ccccc2)Cc2cccs2)cn1.
What is the InChIKey of N-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is HLIQLGAAFJSCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3S/c1-2-20-21-13-18(14-22-20)15-23(16-19-9-6-12-24-19)11-10-17-7-4-3-5-8-17/h3-9,12-14H,2,10-11,15-16H2,1H3.
What are the key properties of N-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
N-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 337.49 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrimidin-5-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 16677892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).