7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane

C16H15F3N4O2 — CID 133293312

IUPAC7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESFC(F)(F)c1cc(N2CCC3(C2)OCCO3)nc(-c2ccccn2)n1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)12-9-13(22-14(21-12)11-3-1-2-5-20-11)23-6-4-15(10-23)24-7-8-25-15/h1-3,5,9H,4,6-8,10H2
InChIKeyFVOTWPZVCANTIH-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.51
Rot. Bonds2

About 7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane

7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 133293312) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID133293312
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESFC(F)(F)c1cc(N2CCC3(C2)OCCO3)nc(-c2ccccn2)n1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)12-9-13(22-14(21-12)11-3-1-2-5-20-11)23-6-4-15(10-23)24-7-8-25-15/h1-3,5,9H,4,6-8,10H2
InChIKeyFVOTWPZVCANTIH-UHFFFAOYSA-N
XLogP2.51
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane (CID 133293312) is 7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane is FC(F)(F)c1cc(N2CCC3(C2)OCCO3)nc(-c2ccccn2)n1.
What is the InChIKey of 7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is FVOTWPZVCANTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c17-16(18,19)12-9-13(22-14(21-12)11-3-1-2-5-20-11)23-6-4-15(10-23)24-7-8-25-15/h1-3,5,9H,4,6-8,10H2.
What are the key properties of 7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane?
7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 352.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 133293312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).