[1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol

C23H28N4OS — CID 133346024

IUPAC[1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCc1ccsc1C(Cc1ccccc1)Nc1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C23H28N4OS/c1-17-9-11-29-23(17)20(12-18-6-3-2-4-7-18)26-21-13-22(25-16-24-21)27-10-5-8-19(14-27)15-28/h2-4,6-7,9,11,13,16,19-20,28H,5,8,10,12,14-15H2,1H3,(H,24,25,26)
InChIKeyWBHAFGNSOOIFDQ-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.45
Rot. Bonds7

About [1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133346024) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is [1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133346024
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name[1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCc1ccsc1C(Cc1ccccc1)Nc1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C23H28N4OS/c1-17-9-11-29-23(17)20(12-18-6-3-2-4-7-18)26-21-13-22(25-16-24-21)27-10-5-8-19(14-27)15-28/h2-4,6-7,9,11,13,16,19-20,28H,5,8,10,12,14-15H2,1H3,(H,24,25,26)
InChIKeyWBHAFGNSOOIFDQ-UHFFFAOYSA-N
XLogP4.45
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol with MolForge

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Related Compounds

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2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid
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[1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
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[1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
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[1-[6-[(4-bromophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
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[1-[6-[[2-methyl-2-(3-methylphenyl)propyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
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[1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
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[1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133293839
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
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[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133346024) is [1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol is Cc1ccsc1C(Cc1ccccc1)Nc1cc(N2CCCC(CO)C2)ncn1.
What is the InChIKey of [1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is WBHAFGNSOOIFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-17-9-11-29-23(17)20(12-18-6-3-2-4-7-18)26-21-13-22(25-16-24-21)27-10-5-8-19(14-27)15-28/h2-4,6-7,9,11,13,16,19-20,28H,5,8,10,12,14-15H2,1H3,(H,24,25,26).
What are the key properties of [1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 408.57 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133346024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).