2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine

C11H20N4S — CID 112667733

IUPAC2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(C)CCSC)n1
InChIInChI=1S/C11H20N4S/c1-4-5-13-10-8-12-9-11(14-10)15(2)6-7-16-3/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyHCMMBPSTOLTMCU-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.10
Rot. Bonds7

About 2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine

2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine (PubChem CID 112667733) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine
PubChem CID112667733
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(C)CCSC)n1
InChIInChI=1S/C11H20N4S/c1-4-5-13-10-8-12-9-11(14-10)15(2)6-7-16-3/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyHCMMBPSTOLTMCU-UHFFFAOYSA-N
XLogP2.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-hydroxyethyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80797495
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine
CID 80794812
2-N-methyl-6-N-propyl-2-N-(pyridin-3-ylmethyl)pyrazine-2,6-diamine
CID 80787409
2-[propyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80796692
3-[methyl-[6-(propylamino)pyrazin-2-yl]amino]butanenitrile
CID 80828763
6-hydrazinyl-N-methyl-N-propylpyrazin-2-amine
CID 80895088
2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80796320
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80827748
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80848440
2-N-ethyl-2-N-(2-methoxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 80808373
2-N-[2-(diethylamino)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80769930
2-N-propan-2-yl-6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80814943

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine (CID 112667733) is 2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(N(C)CCSC)n1.
What is the InChIKey of 2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine?
The InChIKey is HCMMBPSTOLTMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-4-5-13-10-8-12-9-11(14-10)15(2)6-7-16-3/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine?
2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine has a molecular weight of 240.38 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 112667733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).