2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine

C13H22N4S — CID 66456388

IUPAC2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cncc(N2CCSCC2)n1
InChIInChI=1S/C13H22N4S/c1-13(2,3)15-9-11-8-14-10-12(16-11)17-4-6-18-7-5-17/h8,10,15H,4-7,9H2,1-3H3
InChIKeyCPKOWRQCYSJQCZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.92
Rot. Bonds3

About 2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine

2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine (PubChem CID 66456388) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine
PubChem CID66456388
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cncc(N2CCSCC2)n1
InChIInChI=1S/C13H22N4S/c1-13(2,3)15-9-11-8-14-10-12(16-11)17-4-6-18-7-5-17/h8,10,15H,4-7,9H2,1-3H3
InChIKeyCPKOWRQCYSJQCZ-UHFFFAOYSA-N
XLogP1.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(chloromethyl)pyrazin-2-yl]thiomorpholine
CID 66465504
N-[[6-(3,4-dimethylpiperazin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66449130
N-ethyl-6-thiomorpholin-4-ylpyrazin-2-amine
CID 78990525
N-[[6-(2-ethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66458374
2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66450349
2-methyl-N-[[6-(2-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66450919
2-methyl-N-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine
CID 62281237
2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine
CID 105072830
2-methyl-N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66451336
2-methyl-N-[[4-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248241
N-methyl-1-[6-(3-methylthiomorpholin-4-yl)pyrazin-2-yl]methanamine
CID 66450723
N-butan-2-yl-6-[(tert-butylamino)methyl]-N-methylpyrazin-2-amine
CID 66456793

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine (CID 66456388) is 2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine is CC(C)(C)NCc1cncc(N2CCSCC2)n1.
What is the InChIKey of 2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine?
The InChIKey is CPKOWRQCYSJQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-13(2,3)15-9-11-8-14-10-12(16-11)17-4-6-18-7-5-17/h8,10,15H,4-7,9H2,1-3H3.
What are the key properties of 2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine?
2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine has a molecular weight of 266.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-thiomorpholin-4-ylpyrazin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 66456388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).