2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol

C14H23N5OS — CID 106248951

IUPAC2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol
SMILESCCCNc1cn2ccnc2c(NCC(C)(O)CSC)n1
InChIInChI=1S/C14H23N5OS/c1-4-5-15-11-8-19-7-6-16-13(19)12(18-11)17-9-14(2,20)10-21-3/h6-8,15,20H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyTXZXYHQQFLWROD-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.08
Rot. Bonds8

About 2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol

2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol (PubChem CID 106248951) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol
PubChem CID106248951
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol
SMILESCCCNc1cn2ccnc2c(NCC(C)(O)CSC)n1
InChIInChI=1S/C14H23N5OS/c1-4-5-15-11-8-19-7-6-16-13(19)12(18-11)17-9-14(2,20)10-21-3/h6-8,15,20H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyTXZXYHQQFLWROD-UHFFFAOYSA-N
XLogP2.08
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol with MolForge

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Related Compounds

2-methyl-1-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol
CID 80842987
2,2-dimethyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanamide
CID 106280633
N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide
CID 80788012
N-ethyl-2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetamide
CID 80787809
8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80751543
8-N-(2-propan-2-yloxyethyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 104767136
8-N-(2-methylpentan-3-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80802760
8-tert-butylsulfanyl-N-propylimidazo[1,2-a]pyrazin-6-amine
CID 80887812
8-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80795251
6-N-ethyl-8-N-(2-methoxy-2-methylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 104767303
8-N-(2,2-dimethylpropyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80798027
8-N-(1-methylsulfonylpropan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80826533

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol (CID 106248951) is 2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol is CCCNc1cn2ccnc2c(NCC(C)(O)CSC)n1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol?
The InChIKey is TXZXYHQQFLWROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-4-5-15-11-8-19-7-6-16-13(19)12(18-11)17-9-14(2,20)10-21-3/h6-8,15,20H,4-5,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol?
2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol has a molecular weight of 309.44 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propan-2-ol is sourced from PubChem (CID 106248951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).