2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol

C13H14N4OS — CID 59662229

IUPAC2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
SMILESCc1csc(-c2cnn3ccc(NCCO)nc23)c1
InChIInChI=1S/C13H14N4OS/c1-9-6-11(19-8-9)10-7-15-17-4-2-12(14-3-5-18)16-13(10)17/h2,4,6-8,18H,3,5H2,1H3,(H,14,16)
InChIKeySSKXENRJIXIXPN-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.17
Rot. Bonds4

About 2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol

2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol (PubChem CID 59662229) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
PubChem CID59662229
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
SMILESCc1csc(-c2cnn3ccc(NCCO)nc23)c1
InChIInChI=1S/C13H14N4OS/c1-9-6-11(19-8-9)10-7-15-17-4-2-12(14-3-5-18)16-13(10)17/h2,4,6-8,18H,3,5H2,1H3,(H,14,16)
InChIKeySSKXENRJIXIXPN-UHFFFAOYSA-N
XLogP2.17
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The IUPAC name of 2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol (CID 59662229) is 2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol is Cc1csc(-c2cnn3ccc(NCCO)nc23)c1.
What is the InChIKey of 2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The InChIKey is SSKXENRJIXIXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-9-6-11(19-8-9)10-7-15-17-4-2-12(14-3-5-18)16-13(10)17/h2,4,6-8,18H,3,5H2,1H3,(H,14,16).
What are the key properties of 2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol has a molecular weight of 274.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol is sourced from PubChem (CID 59662229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).