4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid

C19H27F3N4O4 — CID 118742200

IUPAC4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid
SMILESCOc1cc(N2CCC3(CC2)CC(N2CCOCC2)C3)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O2.C2HF3O2/c1-22-16-10-15(18-13-19-16)21-4-2-17(3-5-21)11-14(12-17)20-6-8-23-9-7-20;3-2(4,5)1(6)7/h10,13-14H,2-9,11-12H2,1H3;(H,6,7)
InChIKeyYSVQECSMMMYCFW-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.20
Rot. Bonds3

About 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid

4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid (PubChem CID 118742200) has the molecular formula C19H27F3N4O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid
PubChem CID118742200
Molecular FormulaC19H27F3N4O4
Molecular Weight432.44 g/mol
Exact Mass432.20
IUPAC Name4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid
SMILESCOc1cc(N2CCC3(CC2)CC(N2CCOCC2)C3)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O2.C2HF3O2/c1-22-16-10-15(18-13-19-16)21-4-2-17(3-5-21)11-14(12-17)20-6-8-23-9-7-20;3-2(4,5)1(6)7/h10,13-14H,2-9,11-12H2,1H3;(H,6,7)
InChIKeyYSVQECSMMMYCFW-UHFFFAOYSA-N
XLogP2.20
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid (CID 118742200) is 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid is COc1cc(N2CCC3(CC2)CC(N2CCOCC2)C3)ncn1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is YSVQECSMMMYCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.C2HF3O2/c1-22-16-10-15(18-13-19-16)21-4-2-17(3-5-21)11-14(12-17)20-6-8-23-9-7-20;3-2(4,5)1(6)7/h10,13-14H,2-9,11-12H2,1H3;(H,6,7).
What are the key properties of 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid?
4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 432.44 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).