2-methoxy-N-[(2-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine

C16H23N3OS — CID 50981235

IUPAC2-methoxy-N-[(2-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCCc1ncc(CN(CCOC)Cc2cccs2)cn1
InChIInChI=1S/C16H23N3OS/c1-3-5-16-17-10-14(11-18-16)12-19(7-8-20-2)13-15-6-4-9-21-15/h4,6,9-11H,3,5,7-8,12-13H2,1-2H3
InChIKeyZDTYXMVVBJOURT-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.14
Rot. Bonds9

About 2-methoxy-N-[(2-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine

2-methoxy-N-[(2-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 50981235) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-methoxy-N-[(2-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID50981235
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-methoxy-N-[(2-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCCc1ncc(CN(CCOC)Cc2cccs2)cn1
InChIInChI=1S/C16H23N3OS/c1-3-5-16-17-10-14(11-18-16)12-19(7-8-20-2)13-15-6-4-9-21-15/h4,6,9-11H,3,5,7-8,12-13H2,1-2H3
InChIKeyZDTYXMVVBJOURT-UHFFFAOYSA-N
XLogP3.14
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.14
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-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-[(2-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine (CID 50981235) is 2-methoxy-N-[(2-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine is CCCc1ncc(CN(CCOC)Cc2cccs2)cn1.
What is the InChIKey of 2-methoxy-N-[(2-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is ZDTYXMVVBJOURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-5-16-17-10-14(11-18-16)12-19(7-8-20-2)13-15-6-4-9-21-15/h4,6,9-11H,3,5,7-8,12-13H2,1-2H3.
What are the key properties of 2-methoxy-N-[(2-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine?
2-methoxy-N-[(2-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 305.45 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-propylpyrimidin-5-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 50981235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).