1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol

C17H15FN4O2S — CID 89235097

IUPAC1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
SMILESC=C(O)c1cc2nc(-c3ccc(F)nc3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C17H15FN4O2S/c1-10(23)13-8-12-15(25-13)17(22-4-6-24-7-5-22)21-16(20-12)11-2-3-14(18)19-9-11/h2-3,8-9,23H,1,4-7H2
InChIKeyMTUJXHLZKWZDJS-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.26
Rot. Bonds3

About 1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol

1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol (PubChem CID 89235097) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol.

Molecular Properties

Compound Name1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
PubChem CID89235097
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
SMILESC=C(O)c1cc2nc(-c3ccc(F)nc3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C17H15FN4O2S/c1-10(23)13-8-12-15(25-13)17(22-4-6-24-7-5-22)21-16(20-12)11-2-3-14(18)19-9-11/h2-3,8-9,23H,1,4-7H2
InChIKeyMTUJXHLZKWZDJS-UHFFFAOYSA-N
XLogP3.26
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol?
The IUPAC name of 1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol (CID 89235097) is 1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol.
What is the SMILES notation for 1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol?
The canonical SMILES for 1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol is C=C(O)c1cc2nc(-c3ccc(F)nc3)nc(N3CCOCC3)c2s1.
What is the InChIKey of 1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol?
The InChIKey is MTUJXHLZKWZDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-10(23)13-8-12-15(25-13)17(22-4-6-24-7-5-22)21-16(20-12)11-2-3-14(18)19-9-11/h2-3,8-9,23H,1,4-7H2.
What are the key properties of 1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol?
1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol has a molecular weight of 358.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol is sourced from PubChem (CID 89235097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).