2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine

C16H21N3OS — CID 66465227

IUPAC2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCSc1ccccc1Oc1cncc(CNCC(C)C)n1
InChIInChI=1S/C16H21N3OS/c1-12(2)8-17-9-13-10-18-11-16(19-13)20-14-6-4-5-7-15(14)21-3/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyVDXPWUWWKSENMI-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.74
Rot. Bonds7

About 2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine

2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 66465227) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID66465227
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCSc1ccccc1Oc1cncc(CNCC(C)C)n1
InChIInChI=1S/C16H21N3OS/c1-12(2)8-17-9-13-10-18-11-16(19-13)20-14-6-4-5-7-15(14)21-3/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyVDXPWUWWKSENMI-UHFFFAOYSA-N
XLogP3.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(2-bromophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450804
N-[[6-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66451593
N-[[6-(4-chlorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450622
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66467044
2-methyl-N-[(6-propan-2-yloxypyrazin-2-yl)methyl]propan-1-amine
CID 66451958
N-[[6-(4-bromo-2-chlorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66451225
N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 63647535
methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate
CID 66458680
N-[[6-(2,3-difluorophenoxy)pyrazin-2-yl]methyl]ethanamine
CID 66466578
2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 63647366
N-[[6-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 82807751
N-methyl-1-(6-naphthalen-1-yloxypyrazin-2-yl)methanamine
CID 66450632

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine (CID 66465227) is 2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine is CSc1ccccc1Oc1cncc(CNCC(C)C)n1.
What is the InChIKey of 2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine?
The InChIKey is VDXPWUWWKSENMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12(2)8-17-9-13-10-18-11-16(19-13)20-14-6-4-5-7-15(14)21-3/h4-7,10-12,17H,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine?
2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 303.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(2-methylsulfanylphenoxy)pyrazin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66465227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).