2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

C13H15F3N4O — CID 121314055

IUPAC2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2cc(C(F)(F)F)ncn2)CCC12CCNCC2
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)9-7-10(19-8-18-9)20-6-3-12(11(20)21)1-4-17-5-2-12/h7-8,17H,1-6H2
InChIKeyPSJCSLIICBBUFV-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.60
Rot. Bonds1

About 2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 121314055) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID121314055
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2cc(C(F)(F)F)ncn2)CCC12CCNCC2
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)9-7-10(19-8-18-9)20-6-3-12(11(20)21)1-4-17-5-2-12/h7-8,17H,1-6H2
InChIKeyPSJCSLIICBBUFV-UHFFFAOYSA-N
XLogP1.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one (CID 121314055) is 2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one is O=C1N(c2cc(C(F)(F)F)ncn2)CCC12CCNCC2.
What is the InChIKey of 2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is PSJCSLIICBBUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c14-13(15,16)9-7-10(19-8-18-9)20-6-3-12(11(20)21)1-4-17-5-2-12/h7-8,17H,1-6H2.
What are the key properties of 2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 300.28 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 121314055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).