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

C10H13N3OS — CID 648537

IUPAC2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCCc1cc2c(NCCO)ncnc2s1
InChIInChI=1S/C10H13N3OS/c1-2-7-5-8-9(11-3-4-14)12-6-13-10(8)15-7/h5-6,14H,2-4H2,1H3,(H,11,12,13)
InChIKeyPMBXQKQDEKSHMZ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.66
Rot. Bonds4

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

2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 648537) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID648537
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCCc1cc2c(NCCO)ncnc2s1
InChIInChI=1S/C10H13N3OS/c1-2-7-5-8-9(11-3-4-14)12-6-13-10(8)15-7/h5-6,14H,2-4H2,1H3,(H,11,12,13)
InChIKeyPMBXQKQDEKSHMZ-UHFFFAOYSA-N
XLogP1.66
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 648537) is 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is CCc1cc2c(NCCO)ncnc2s1.
What is the InChIKey of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is PMBXQKQDEKSHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-2-7-5-8-9(11-3-4-14)12-6-13-10(8)15-7/h5-6,14H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 223.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 648537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).