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

C14H19N3O2S — CID 124843777

IUPAC2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1cc2c(N(CCO)[C@@H]3CCO[C@H]3C)ncnc2s1
InChIInChI=1S/C14H19N3O2S/c1-9-7-11-13(15-8-16-14(11)20-9)17(4-5-18)12-3-6-19-10(12)2/h7-8,10,12,18H,3-6H2,1-2H3/t10-,12+/m0/s1
InChIKeyFFVYLSOUCAQHIU-CMPLNLGQSA-N
MW293.39 g/mol
LogP1.98
Rot. Bonds4

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

2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 124843777) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID124843777
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1cc2c(N(CCO)[C@@H]3CCO[C@H]3C)ncnc2s1
InChIInChI=1S/C14H19N3O2S/c1-9-7-11-13(15-8-16-14(11)20-9)17(4-5-18)12-3-6-19-10(12)2/h7-8,10,12,18H,3-6H2,1-2H3/t10-,12+/m0/s1
InChIKeyFFVYLSOUCAQHIU-CMPLNLGQSA-N
XLogP1.98
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 124843777) is 2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is Cc1cc2c(N(CCO)[C@@H]3CCO[C@H]3C)ncnc2s1.
What is the InChIKey of 2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is FFVYLSOUCAQHIU-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-7-11-13(15-8-16-14(11)20-9)17(4-5-18)12-3-6-19-10(12)2/h7-8,10,12,18H,3-6H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of 2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 293.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 124843777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).