[5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol

C11H19N3OS — CID 107372975

IUPAC[5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol
SMILESCSCCC(C)N(C)c1cnc(CO)cn1
InChIInChI=1S/C11H19N3OS/c1-9(4-5-16-3)14(2)11-7-12-10(8-15)6-13-11/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyXBLWXASLSUULJV-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.55
Rot. Bonds6

About [5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol

[5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol (PubChem CID 107372975) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is [5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol
PubChem CID107372975
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name[5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol
SMILESCSCCC(C)N(C)c1cnc(CO)cn1
InChIInChI=1S/C11H19N3OS/c1-9(4-5-16-3)14(2)11-7-12-10(8-15)6-13-11/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyXBLWXASLSUULJV-UHFFFAOYSA-N
XLogP1.55
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine
CID 107380932
N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine
CID 107380930
5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine
CID 107373561
5-(bromomethyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 107085305
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
[5-[ethyl(propan-2-yl)amino]pyrazin-2-yl]methanol
CID 107372692
4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 115744810
N'-hydroxy-2-methyl-6-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboximidamide
CID 137013656
2-[[5-(hydroxymethyl)pyrazin-2-yl]-methylamino]ethanol
CID 107372728
[5-[2,2-difluoroethyl(methyl)amino]pyrazin-2-yl]methanol
CID 107372967
[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 112666401

Frequently Asked Questions

What is the IUPAC name of [5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol?
The IUPAC name of [5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol (CID 107372975) is [5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol is CSCCC(C)N(C)c1cnc(CO)cn1.
What is the InChIKey of [5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol?
The InChIKey is XBLWXASLSUULJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9(4-5-16-3)14(2)11-7-12-10(8-15)6-13-11/h6-7,9,15H,4-5,8H2,1-3H3.
What are the key properties of [5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol?
[5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol has a molecular weight of 241.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol is sourced from PubChem (CID 107372975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).