1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol

C17H23F6N5O2 — CID 87058307

IUPAC1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol
SMILESC[C@@H]1COCCN1C[C@H]1CNCCN1c1ncc(C(O)(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C17H23F6N5O2/c1-11-10-30-5-4-27(11)9-13-8-24-2-3-28(13)14-25-6-12(7-26-14)15(29,16(18,19)20)17(21,22)23/h6-7,11,13,24,29H,2-5,8-10H2,1H3/t11-,13-/m1/s1
InChIKeyHIVGSJKWJXGAOQ-DGCLKSJQSA-N
MW443.39 g/mol
LogP1.29
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol (PubChem CID 87058307) has the molecular formula C17H23F6N5O2 and a molecular weight of 443.39 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol
PubChem CID87058307
Molecular FormulaC17H23F6N5O2
Molecular Weight443.39 g/mol
Exact Mass443.18
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol
SMILESC[C@@H]1COCCN1C[C@H]1CNCCN1c1ncc(C(O)(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C17H23F6N5O2/c1-11-10-30-5-4-27(11)9-13-8-24-2-3-28(13)14-25-6-12(7-26-14)15(29,16(18,19)20)17(21,22)23/h6-7,11,13,24,29H,2-5,8-10H2,1H3/t11-,13-/m1/s1
InChIKeyHIVGSJKWJXGAOQ-DGCLKSJQSA-N
XLogP1.29
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol (CID 87058307) is 1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol is C[C@@H]1COCCN1C[C@H]1CNCCN1c1ncc(C(O)(C(F)(F)F)C(F)(F)F)cn1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol?
The InChIKey is HIVGSJKWJXGAOQ-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H23F6N5O2/c1-11-10-30-5-4-27(11)9-13-8-24-2-3-28(13)14-25-6-12(7-26-14)15(29,16(18,19)20)17(21,22)23/h6-7,11,13,24,29H,2-5,8-10H2,1H3/t11-,13-/m1/s1.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol has a molecular weight of 443.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[2-[(2R)-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol is sourced from PubChem (CID 87058307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).