2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

C11H15N3OS — CID 28848630

IUPAC2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCCN(CCO)c1ncnc2sc(C)cc12
InChIInChI=1S/C11H15N3OS/c1-3-14(4-5-15)10-9-6-8(2)16-11(9)13-7-12-10/h6-7,15H,3-5H2,1-2H3
InChIKeyZYZWJKZMGJMUDU-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.82
Rot. Bonds4

About 2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 28848630) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID28848630
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCCN(CCO)c1ncnc2sc(C)cc12
InChIInChI=1S/C11H15N3OS/c1-3-14(4-5-15)10-9-6-8(2)16-11(9)13-7-12-10/h6-7,15H,3-5H2,1-2H3
InChIKeyZYZWJKZMGJMUDU-UHFFFAOYSA-N
XLogP1.82
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 28848630) is 2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is CCN(CCO)c1ncnc2sc(C)cc12.
What is the InChIKey of 2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is ZYZWJKZMGJMUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-14(4-5-15)10-9-6-8(2)16-11(9)13-7-12-10/h6-7,15H,3-5H2,1-2H3.
What are the key properties of 2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 237.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 28848630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).