1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol

C19H20F6N4O2 — CID 46829278

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol
SMILESOC(c1ccc(-c2cnc(NCCN3CCOCC3)nc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H20F6N4O2/c20-18(21,22)17(30,19(23,24)25)15-3-1-13(2-4-15)14-11-27-16(28-12-14)26-5-6-29-7-9-31-10-8-29/h1-4,11-12,30H,5-10H2,(H,26,27,28)
InChIKeyGSQKHFRAFSPIFZ-UHFFFAOYSA-N
MW450.38 g/mol
LogP3.20
Rot. Bonds6

About 1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol (PubChem CID 46829278) has the molecular formula C19H20F6N4O2 and a molecular weight of 450.38 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol
PubChem CID46829278
Molecular FormulaC19H20F6N4O2
Molecular Weight450.38 g/mol
Exact Mass450.15
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol
SMILESOC(c1ccc(-c2cnc(NCCN3CCOCC3)nc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H20F6N4O2/c20-18(21,22)17(30,19(23,24)25)15-3-1-13(2-4-15)14-11-27-16(28-12-14)26-5-6-29-7-9-31-10-8-29/h1-4,11-12,30H,5-10H2,(H,26,27,28)
InChIKeyGSQKHFRAFSPIFZ-UHFFFAOYSA-N
XLogP3.20
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol (CID 46829278) is 1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol is OC(c1ccc(-c2cnc(NCCN3CCOCC3)nc2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol?
The InChIKey is GSQKHFRAFSPIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F6N4O2/c20-18(21,22)17(30,19(23,24)25)15-3-1-13(2-4-15)14-11-27-16(28-12-14)26-5-6-29-7-9-31-10-8-29/h1-4,11-12,30H,5-10H2,(H,26,27,28).
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol has a molecular weight of 450.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]phenyl]propan-2-ol is sourced from PubChem (CID 46829278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).