2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol

C9H12N2O2S — CID 105466025

IUPAC2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol
SMILESCOc1nc(CCO)nc2c1CSC2
InChIInChI=1S/C9H12N2O2S/c1-13-9-6-4-14-5-7(6)10-8(11-9)2-3-12/h12H,2-5H2,1H3
InChIKeyQJSQKSGSYFSSAB-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.77
Rot. Bonds3

About 2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol

2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol (PubChem CID 105466025) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol
PubChem CID105466025
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol
SMILESCOc1nc(CCO)nc2c1CSC2
InChIInChI=1S/C9H12N2O2S/c1-13-9-6-4-14-5-7(6)10-8(11-9)2-3-12/h12H,2-5H2,1H3
InChIKeyQJSQKSGSYFSSAB-UHFFFAOYSA-N
XLogP0.77
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol?
The IUPAC name of 2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol (CID 105466025) is 2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol.
What is the SMILES notation for 2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol?
The canonical SMILES for 2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol is COc1nc(CCO)nc2c1CSC2.
What is the InChIKey of 2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol?
The InChIKey is QJSQKSGSYFSSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-13-9-6-4-14-5-7(6)10-8(11-9)2-3-12/h12H,2-5H2,1H3.
What are the key properties of 2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol?
2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol has a molecular weight of 212.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanol is sourced from PubChem (CID 105466025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).