4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one

C15H19F3N4O3 — CID 168867303

IUPAC4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC(O)CC2(CCN(c3cc(OCC(F)(F)F)ncn3)CC2)N1
InChIInChI=1S/C15H19F3N4O3/c16-15(17,18)8-25-13-6-11(19-9-20-13)22-3-1-14(2-4-22)7-10(23)5-12(24)21-14/h6,9-10,23H,1-5,7-8H2,(H,21,24)
InChIKeyDYOAIMTXCBYZGL-UHFFFAOYSA-N
MW360.34 g/mol
LogP1.03
Rot. Bonds3

About 4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one

4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 168867303) has the molecular formula C15H19F3N4O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID168867303
Molecular FormulaC15H19F3N4O3
Molecular Weight360.34 g/mol
Exact Mass360.14
IUPAC Name4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC(O)CC2(CCN(c3cc(OCC(F)(F)F)ncn3)CC2)N1
InChIInChI=1S/C15H19F3N4O3/c16-15(17,18)8-25-13-6-11(19-9-20-13)22-3-1-14(2-4-22)7-10(23)5-12(24)21-14/h6,9-10,23H,1-5,7-8H2,(H,21,24)
InChIKeyDYOAIMTXCBYZGL-UHFFFAOYSA-N
XLogP1.03
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
CID 168867311
8-(6-Methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155869158
1-[4-[(6-Ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 126783509
[4-[(6-Ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyloxan-3-yl)methanone
CID 137848502
rel-(6R,11S)-8-(2,6-dimethoxy-4-pyrimidinyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 145936479
rel-(6R,11R)-8-(2,6-dimethoxy-4-pyrimidinyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 145941422

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one (CID 168867303) is 4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one is O=C1CC(O)CC2(CCN(c3cc(OCC(F)(F)F)ncn3)CC2)N1.
What is the InChIKey of 4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is DYOAIMTXCBYZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3/c16-15(17,18)8-25-13-6-11(19-9-20-13)22-3-1-14(2-4-22)7-10(23)5-12(24)21-14/h6,9-10,23H,1-5,7-8H2,(H,21,24).
What are the key properties of 4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one?
4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 360.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 168867303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).