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

C14H26N4S — CID 107380930

IUPACN-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine
SMILESCCCNCc1cnc(N(C)C(C)CCSC)cn1
InChIInChI=1S/C14H26N4S/c1-5-7-15-9-13-10-17-14(11-16-13)18(3)12(2)6-8-19-4/h10-12,15H,5-9H2,1-4H3
InChIKeyYYWXOCWEKFBVSS-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.55
Rot. Bonds9

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

N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine (PubChem CID 107380930) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine
PubChem CID107380930
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine
SMILESCCCNCc1cnc(N(C)C(C)CCSC)cn1
InChIInChI=1S/C14H26N4S/c1-5-7-15-9-13-10-17-14(11-16-13)18(3)12(2)6-8-19-4/h10-12,15H,5-9H2,1-4H3
InChIKeyYYWXOCWEKFBVSS-UHFFFAOYSA-N
XLogP2.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine
CID 107380932
[5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol
CID 107372975
3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105390476
5-(bromomethyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 107085305
N-propyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107380778
5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine
CID 107373561
N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107378913
N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine
CID 133403717
N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine
CID 97325462
N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107378961
N,N-dimethyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107378992
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine
CID 107380056

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine?
The IUPAC name of N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine (CID 107380930) is N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine.
What is the SMILES notation for N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine?
The canonical SMILES for N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine is CCCNCc1cnc(N(C)C(C)CCSC)cn1.
What is the InChIKey of N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine?
The InChIKey is YYWXOCWEKFBVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-5-7-15-9-13-10-17-14(11-16-13)18(3)12(2)6-8-19-4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine?
N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine has a molecular weight of 282.46 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine is sourced from PubChem (CID 107380930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).