2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol

C13H23N5OS — CID 80779556

IUPAC2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCCNc1cc(N2CCN(CCO)CC2)nc(SC)n1
InChIInChI=1S/C13H23N5OS/c1-3-14-11-10-12(16-13(15-11)20-2)18-6-4-17(5-7-18)8-9-19/h10,19H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyQGHOJPMGUTXWDJ-UHFFFAOYSA-N
MW297.43 g/mol
LogP0.74
Rot. Bonds6

About 2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 80779556) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID80779556
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCCNc1cc(N2CCN(CCO)CC2)nc(SC)n1
InChIInChI=1S/C13H23N5OS/c1-3-14-11-10-12(16-13(15-11)20-2)18-6-4-17(5-7-18)8-9-19/h10,19H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyQGHOJPMGUTXWDJ-UHFFFAOYSA-N
XLogP0.74
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol 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

N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80804466
6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80833597
2-[4-[6-(ethylamino)pyrazin-2-yl]piperazin-1-yl]ethanol
CID 78990415
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409102
2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide
CID 80785670
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-1,4-diazepan-5-one
CID 80830734
N-ethyl-2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80940402
2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80766985
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80836949
2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol
CID 80765964
6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80796740
1-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674572

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol (CID 80779556) is 2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol is CCNc1cc(N2CCN(CCO)CC2)nc(SC)n1.
What is the InChIKey of 2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is QGHOJPMGUTXWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-3-14-11-10-12(16-13(15-11)20-2)18-6-4-17(5-7-18)8-9-19/h10,19H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 297.43 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 80779556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).