N-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine

C19H21N3OS — CID 137372159

IUPACN-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine
SMILESCNCCC(Oc1cccc(-c2cnc(C)nc2)c1)c1cccs1
InChIInChI=1S/C19H21N3OS/c1-14-21-12-16(13-22-14)15-5-3-6-17(11-15)23-18(8-9-20-2)19-7-4-10-24-19/h3-7,10-13,18,20H,8-9H2,1-2H3
InChIKeyJVVKIFPYXXKSRU-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.24
Rot. Bonds7

About N-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine

N-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine (PubChem CID 137372159) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine
PubChem CID137372159
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine
SMILESCNCCC(Oc1cccc(-c2cnc(C)nc2)c1)c1cccs1
InChIInChI=1S/C19H21N3OS/c1-14-21-12-16(13-22-14)15-5-3-6-17(11-15)23-18(8-9-20-2)19-7-4-10-24-19/h3-7,10-13,18,20H,8-9H2,1-2H3
InChIKeyJVVKIFPYXXKSRU-UHFFFAOYSA-N
XLogP4.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine (CID 137372159) is N-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine is CNCCC(Oc1cccc(-c2cnc(C)nc2)c1)c1cccs1.
What is the InChIKey of N-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine?
The InChIKey is JVVKIFPYXXKSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14-21-12-16(13-22-14)15-5-3-6-17(11-15)23-18(8-9-20-2)19-7-4-10-24-19/h3-7,10-13,18,20H,8-9H2,1-2H3.
What are the key properties of N-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine?
N-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine has a molecular weight of 339.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(2-methylpyrimidin-5-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 137372159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).