2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol

C12H12BrN5OS — CID 126495548

IUPAC2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
SMILESCc1sc2cnc(Nc3cnn(CCO)c3)nc2c1Br
InChIInChI=1S/C12H12BrN5OS/c1-7-10(13)11-9(20-7)5-14-12(17-11)16-8-4-15-18(6-8)2-3-19/h4-6,19H,2-3H2,1H3,(H,14,16,17)
InChIKeyWPNWGNOKWJHFEX-UHFFFAOYSA-N
MW354.23 g/mol
LogP2.69
Rot. Bonds4

About 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol

2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol (PubChem CID 126495548) has the molecular formula C12H12BrN5OS and a molecular weight of 354.23 g/mol. Its IUPAC name is 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
PubChem CID126495548
Molecular FormulaC12H12BrN5OS
Molecular Weight354.23 g/mol
Exact Mass352.99
IUPAC Name2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
SMILESCc1sc2cnc(Nc3cnn(CCO)c3)nc2c1Br
InChIInChI=1S/C12H12BrN5OS/c1-7-10(13)11-9(20-7)5-14-12(17-11)16-8-4-15-18(6-8)2-3-19/h4-6,19H,2-3H2,1H3,(H,14,16,17)
InChIKeyWPNWGNOKWJHFEX-UHFFFAOYSA-N
XLogP2.69
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol (CID 126495548) is 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol is Cc1sc2cnc(Nc3cnn(CCO)c3)nc2c1Br.
What is the InChIKey of 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol?
The InChIKey is WPNWGNOKWJHFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5OS/c1-7-10(13)11-9(20-7)5-14-12(17-11)16-8-4-15-18(6-8)2-3-19/h4-6,19H,2-3H2,1H3,(H,14,16,17).
What are the key properties of 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol?
2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol has a molecular weight of 354.23 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-bromo-6-methylthieno[3,2-d]pyrimidin-2-yl)amino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 126495548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).