7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone

C18H19F3N6O2 — CID 145441260

IUPAC7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cnc(C(F)(F)F)nc2)nc1)N1CC2(CCOCC2)C1
InChIInChI=1S/C18H19F3N6O2/c19-18(20,21)15-22-5-12(6-23-15)7-24-16-25-8-13(9-26-16)14(28)27-10-17(11-27)1-3-29-4-2-17/h5-6,8-9H,1-4,7,10-11H2,(H,24,25,26)
InChIKeyCPFNTJHGECFYSC-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.15
Rot. Bonds4

About 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone

7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone (PubChem CID 145441260) has the molecular formula C18H19F3N6O2 and a molecular weight of 408.38 g/mol. Its IUPAC name is 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone
PubChem CID145441260
Molecular FormulaC18H19F3N6O2
Molecular Weight408.38 g/mol
Exact Mass408.15
IUPAC Name7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cnc(C(F)(F)F)nc2)nc1)N1CC2(CCOCC2)C1
InChIInChI=1S/C18H19F3N6O2/c19-18(20,21)15-22-5-12(6-23-15)7-24-16-25-8-13(9-26-16)14(28)27-10-17(11-27)1-3-29-4-2-17/h5-6,8-9H,1-4,7,10-11H2,(H,24,25,26)
InChIKeyCPFNTJHGECFYSC-UHFFFAOYSA-N
XLogP2.15
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone?
The IUPAC name of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone (CID 145441260) is 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone.
What is the SMILES notation for 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone?
The canonical SMILES for 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone is O=C(c1cnc(NCc2cnc(C(F)(F)F)nc2)nc1)N1CC2(CCOCC2)C1.
What is the InChIKey of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone?
The InChIKey is CPFNTJHGECFYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O2/c19-18(20,21)15-22-5-12(6-23-15)7-24-16-25-8-13(9-26-16)14(28)27-10-17(11-27)1-3-29-4-2-17/h5-6,8-9H,1-4,7,10-11H2,(H,24,25,26).
What are the key properties of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone?
7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone has a molecular weight of 408.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[[2-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 145441260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).