[3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol

C12H14N2O3S — CID 135381025

IUPAC[3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol
SMILESCCOc1cc(-c2cc(OC)ncn2)sc1CO
InChIInChI=1S/C12H14N2O3S/c1-3-17-9-5-10(18-11(9)6-15)8-4-12(16-2)14-7-13-8/h4-5,7,15H,3,6H2,1-2H3
InChIKeyZKJNGSMIUCVOGY-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.10
Rot. Bonds5

About [3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol

[3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol (PubChem CID 135381025) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is [3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol
PubChem CID135381025
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name[3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol
SMILESCCOc1cc(-c2cc(OC)ncn2)sc1CO
InChIInChI=1S/C12H14N2O3S/c1-3-17-9-5-10(18-11(9)6-15)8-4-12(16-2)14-7-13-8/h4-5,7,15H,3,6H2,1-2H3
InChIKeyZKJNGSMIUCVOGY-UHFFFAOYSA-N
XLogP2.10
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol?
The IUPAC name of [3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol (CID 135381025) is [3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol.
What is the SMILES notation for [3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol?
The canonical SMILES for [3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol is CCOc1cc(-c2cc(OC)ncn2)sc1CO.
What is the InChIKey of [3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol?
The InChIKey is ZKJNGSMIUCVOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-17-9-5-10(18-11(9)6-15)8-4-12(16-2)14-7-13-8/h4-5,7,15H,3,6H2,1-2H3.
What are the key properties of [3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol?
[3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol has a molecular weight of 266.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-5-(6-methoxypyrimidin-4-yl)thiophen-2-yl]methanol is sourced from PubChem (CID 135381025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).