2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C17H14F6N6O2S — CID 59829392

IUPAC2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ncc(-c2nc(N3CCOCC3)c3sc(C(O)(C(F)(F)F)C(F)(F)F)cc3n2)cn1
InChIInChI=1S/C17H14F6N6O2S/c18-16(19,20)15(30,17(21,22)23)10-5-9-11(32-10)13(29-1-3-31-4-2-29)28-12(27-9)8-6-25-14(24)26-7-8/h5-7,30H,1-4H2,(H2,24,25,26)
InChIKeyCAIRAYAGJVFNJL-UHFFFAOYSA-N
MW480.39 g/mol
LogP2.88
Rot. Bonds3

About 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 59829392) has the molecular formula C17H14F6N6O2S and a molecular weight of 480.39 g/mol. Its IUPAC name is 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID59829392
Molecular FormulaC17H14F6N6O2S
Molecular Weight480.39 g/mol
Exact Mass480.08
IUPAC Name2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ncc(-c2nc(N3CCOCC3)c3sc(C(O)(C(F)(F)F)C(F)(F)F)cc3n2)cn1
InChIInChI=1S/C17H14F6N6O2S/c18-16(19,20)15(30,17(21,22)23)10-5-9-11(32-10)13(29-1-3-31-4-2-29)28-12(27-9)8-6-25-14(24)26-7-8/h5-7,30H,1-4H2,(H2,24,25,26)
InChIKeyCAIRAYAGJVFNJL-UHFFFAOYSA-N
XLogP2.88
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 59829392) is 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1ncc(-c2nc(N3CCOCC3)c3sc(C(O)(C(F)(F)F)C(F)(F)F)cc3n2)cn1.
What is the InChIKey of 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is CAIRAYAGJVFNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N6O2S/c18-16(19,20)15(30,17(21,22)23)10-5-9-11(32-10)13(29-1-3-31-4-2-29)28-12(27-9)8-6-25-14(24)26-7-8/h5-7,30H,1-4H2,(H2,24,25,26).
What are the key properties of 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 480.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 59829392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).