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

C18H19FN4O2S — CID 59829365

IUPAC2-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cc2nc(-c3ccc(F)nc3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C18H19FN4O2S/c1-18(2,24)13-9-12-15(26-13)17(23-5-7-25-8-6-23)22-16(21-12)11-3-4-14(19)20-10-11/h3-4,9-10,24H,5-8H2,1-2H3
InChIKeyMUICFZZLNRQLQU-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.96
Rot. Bonds3

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

2-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol (PubChem CID 59829365) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
PubChem CID59829365
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name2-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cc2nc(-c3ccc(F)nc3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C18H19FN4O2S/c1-18(2,24)13-9-12-15(26-13)17(23-5-7-25-8-6-23)22-16(21-12)11-3-4-14(19)20-10-11/h3-4,9-10,24H,5-8H2,1-2H3
InChIKeyMUICFZZLNRQLQU-UHFFFAOYSA-N
XLogP2.96
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
The IUPAC name of 2-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol (CID 59829365) is 2-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
The canonical SMILES for 2-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol is CC(C)(O)c1cc2nc(-c3ccc(F)nc3)nc(N3CCOCC3)c2s1.
What is the InChIKey of 2-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
The InChIKey is MUICFZZLNRQLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-18(2,24)13-9-12-15(26-13)17(23-5-7-25-8-6-23)22-16(21-12)11-3-4-14(19)20-10-11/h3-4,9-10,24H,5-8H2,1-2H3.
What are the key properties of 2-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
2-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol has a molecular weight of 374.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol is sourced from PubChem (CID 59829365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).