2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol

C15H18N4OS — CID 91800554

IUPAC2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
SMILESCc1nc2c(-c3cccs3)c(C)nn2c(NCCO)c1C
InChIInChI=1S/C15H18N4OS/c1-9-10(2)17-15-13(12-5-4-8-21-12)11(3)18-19(15)14(9)16-6-7-20/h4-5,8,16,20H,6-7H2,1-3H3
InChIKeyFSIPXDSKPOBFCJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.79
Rot. Bonds4

About 2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol

2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol (PubChem CID 91800554) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
PubChem CID91800554
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
SMILESCc1nc2c(-c3cccs3)c(C)nn2c(NCCO)c1C
InChIInChI=1S/C15H18N4OS/c1-9-10(2)17-15-13(12-5-4-8-21-12)11(3)18-19(15)14(9)16-6-7-20/h4-5,8,16,20H,6-7H2,1-3H3
InChIKeyFSIPXDSKPOBFCJ-UHFFFAOYSA-N
XLogP2.79
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
The IUPAC name of 2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol (CID 91800554) is 2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol.
What is the SMILES notation for 2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
The canonical SMILES for 2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol is Cc1nc2c(-c3cccs3)c(C)nn2c(NCCO)c1C.
What is the InChIKey of 2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
The InChIKey is FSIPXDSKPOBFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-9-10(2)17-15-13(12-5-4-8-21-12)11(3)18-19(15)14(9)16-6-7-20/h4-5,8,16,20H,6-7H2,1-3H3.
What are the key properties of 2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol has a molecular weight of 302.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5,6-trimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol is sourced from PubChem (CID 91800554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).