2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

C19H16N4OS — CID 17432472

IUPAC2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESOCCNc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C19H16N4OS/c24-10-9-21-18-16-15(13-5-2-1-3-6-13)12-25-19(16)23-17(22-18)14-7-4-8-20-11-14/h1-8,11-12,24H,9-10H2,(H,21,22,23)
InChIKeyJYALEUWZOPNTRD-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.82
Rot. Bonds5

About 2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 17432472) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID17432472
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESOCCNc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C19H16N4OS/c24-10-9-21-18-16-15(13-5-2-1-3-6-13)12-25-19(16)23-17(22-18)14-7-4-8-20-11-14/h1-8,11-12,24H,9-10H2,(H,21,22,23)
InChIKeyJYALEUWZOPNTRD-UHFFFAOYSA-N
XLogP3.82
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 17432472) is 2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is OCCNc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is JYALEUWZOPNTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-10-9-21-18-16-15(13-5-2-1-3-6-13)12-25-19(16)23-17(22-18)14-7-4-8-20-11-14/h1-8,11-12,24H,9-10H2,(H,21,22,23).
What are the key properties of 2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 348.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 17432472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).