2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol

C12H21N3OS — CID 64806114

IUPAC2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
SMILESCCCNC(C)(CO)CCSc1cnccn1
InChIInChI=1S/C12H21N3OS/c1-3-5-15-12(2,10-16)4-8-17-11-9-13-6-7-14-11/h6-7,9,15-16H,3-5,8,10H2,1-2H3
InChIKeyLILGTFPCVYFSSM-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.71
Rot. Bonds8

About 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol

2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol (PubChem CID 64806114) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
PubChem CID64806114
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
SMILESCCCNC(C)(CO)CCSc1cnccn1
InChIInChI=1S/C12H21N3OS/c1-3-5-15-12(2,10-16)4-8-17-11-9-13-6-7-14-11/h6-7,9,15-16H,3-5,8,10H2,1-2H3
InChIKeyLILGTFPCVYFSSM-UHFFFAOYSA-N
XLogP1.71
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 55247167
CID 55247167
CID 55248327
CID 55248327
CID 63380721
CID 63380721
CID 63380949
CID 63380949
CID 63380950
CID 63380950
CID 63380951
CID 63380951
CID 63380999
CID 63380999
CID 63381000
CID 63381000
CID 63381001
CID 63381001
CID 63381265
CID 63381265
CID 63381304
CID 63381304
CID 63381312
CID 63381312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol?
The IUPAC name of 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol (CID 64806114) is 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol.
What is the SMILES notation for 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol?
The canonical SMILES for 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol is CCCNC(C)(CO)CCSc1cnccn1.
What is the InChIKey of 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol?
The InChIKey is LILGTFPCVYFSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-5-15-12(2,10-16)4-8-17-11-9-13-6-7-14-11/h6-7,9,15-16H,3-5,8,10H2,1-2H3.
What are the key properties of 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol?
2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol has a molecular weight of 255.39 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol is sourced from PubChem (CID 64806114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).