N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine

C12H22N4S — CID 107380932

IUPACN-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine
SMILESCNCc1cnc(N(C)C(C)CCSC)cn1
InChIInChI=1S/C12H22N4S/c1-10(5-6-17-4)16(3)12-9-14-11(7-13-2)8-15-12/h8-10,13H,5-7H2,1-4H3
InChIKeyYZYCMCDCOBZEHY-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.77
Rot. Bonds7

About N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine

N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine (PubChem CID 107380932) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine
PubChem CID107380932
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine
SMILESCNCc1cnc(N(C)C(C)CCSC)cn1
InChIInChI=1S/C12H22N4S/c1-10(5-6-17-4)16(3)12-9-14-11(7-13-2)8-15-12/h8-10,13H,5-7H2,1-4H3
InChIKeyYZYCMCDCOBZEHY-UHFFFAOYSA-N
XLogP1.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine
CID 107380930
[5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol
CID 107372975
N-methyl-5-(methylaminomethyl)-N-(3-methylbutyl)pyrazin-2-amine
CID 107379708
5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 114035458
N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine
CID 133403717
5-(bromomethyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 107085305
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine
CID 107871217
5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine
CID 107373561
5-(methylaminomethyl)-N-propan-2-yl-N-propylpyrazin-2-amine
CID 107379107
N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine
CID 97325462
4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 115744810
5-[(tert-butylamino)methyl]-N-methyl-N-propan-2-ylpyrazin-2-amine
CID 107378934

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine?
The IUPAC name of N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine (CID 107380932) is N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine.
What is the SMILES notation for N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine?
The canonical SMILES for N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine is CNCc1cnc(N(C)C(C)CCSC)cn1.
What is the InChIKey of N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine?
The InChIKey is YZYCMCDCOBZEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-10(5-6-17-4)16(3)12-9-14-11(7-13-2)8-15-12/h8-10,13H,5-7H2,1-4H3.
What are the key properties of N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine?
N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine has a molecular weight of 254.40 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 107380932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).