2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol

C20H28N4OS — CID 45248351

IUPAC2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESCSc1ncc(CN2CCN(CCc3ccccc3)C(CCO)C2)cn1
InChIInChI=1S/C20H28N4OS/c1-26-20-21-13-18(14-22-20)15-23-10-11-24(19(16-23)8-12-25)9-7-17-5-3-2-4-6-17/h2-6,13-14,19,25H,7-12,15-16H2,1H3
InChIKeySJQKJTIPZSNDFR-UHFFFAOYSA-N
MW372.54 g/mol
LogP2.31
Rot. Bonds8

About 2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol

2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol (PubChem CID 45248351) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
PubChem CID45248351
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESCSc1ncc(CN2CCN(CCc3ccccc3)C(CCO)C2)cn1
InChIInChI=1S/C20H28N4OS/c1-26-20-21-13-18(14-22-20)15-23-10-11-24(19(16-23)8-12-25)9-7-17-5-3-2-4-6-17/h2-6,13-14,19,25H,7-12,15-16H2,1H3
InChIKeySJQKJTIPZSNDFR-UHFFFAOYSA-N
XLogP2.31
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45172266
2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol
CID 30673653
2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol
CID 98566079
2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol
CID 29026763
2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 30735774
2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45205775
N-[4-[[(3R)-3-(2-hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 93233392
(3R,4R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
CID 29023638
2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
CID 92764853
2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 30852850
2-[(2S)-1-benzyl-4-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]piperazin-2-yl]ethanol
CID 51634332
2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol (CID 45248351) is 2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol is CSc1ncc(CN2CCN(CCc3ccccc3)C(CCO)C2)cn1.
What is the InChIKey of 2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The InChIKey is SJQKJTIPZSNDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-26-20-21-13-18(14-22-20)15-23-10-11-24(19(16-23)8-12-25)9-7-17-5-3-2-4-6-17/h2-6,13-14,19,25H,7-12,15-16H2,1H3.
What are the key properties of 2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol has a molecular weight of 372.54 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45248351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).