6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine

C11H19N5S — CID 114174033

IUPAC6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine
SMILESCNc1cncc(NCCN2CCSCC2)n1
InChIInChI=1S/C11H19N5S/c1-12-10-8-13-9-11(15-10)14-2-3-16-4-6-17-7-5-16/h8-9H,2-7H2,1H3,(H2,12,14,15)
InChIKeyNDIMTFSVJQJCOL-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.98
Rot. Bonds5

About 6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine

6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine (PubChem CID 114174033) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine
PubChem CID114174033
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine
SMILESCNc1cncc(NCCN2CCSCC2)n1
InChIInChI=1S/C11H19N5S/c1-12-10-8-13-9-11(15-10)14-2-3-16-4-6-17-7-5-16/h8-9H,2-7H2,1H3,(H2,12,14,15)
InChIKeyNDIMTFSVJQJCOL-UHFFFAOYSA-N
XLogP0.98
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106327619
6-N-ethyl-2-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,6-diamine
CID 78990309
2-N-propyl-6-N-(2-thiomorpholin-4-ylethyl)pyridine-2,6-diamine
CID 106327485
2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 114174041
2,6-dimethyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 113234720
6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyrazine-2-carboxamide
CID 106327146
2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106327611
2-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 114174035
5-chloro-2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 106327571
2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
CID 80832526
6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106325943
6-hydrazinyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106327653

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine (CID 114174033) is 6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine is CNc1cncc(NCCN2CCSCC2)n1.
What is the InChIKey of 6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine?
The InChIKey is NDIMTFSVJQJCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-12-10-8-13-9-11(15-10)14-2-3-16-4-6-17-7-5-16/h8-9H,2-7H2,1H3,(H2,12,14,15).
What are the key properties of 6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine?
6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine has a molecular weight of 253.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 114174033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).