7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C14H15F3N4 — CID 170785077

IUPAC7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1cnc2nc(CC3CC4(CNC4)C3)ccn12
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-6-19-12-20-10(1-2-21(11)12)3-9-4-13(5-9)7-18-8-13/h1-2,6,9,18H,3-5,7-8H2
InChIKeyJKSVCMZAZJMXGX-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.29
Rot. Bonds2

About 7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine

7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 170785077) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID170785077
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1cnc2nc(CC3CC4(CNC4)C3)ccn12
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-6-19-12-20-10(1-2-21(11)12)3-9-4-13(5-9)7-18-8-13/h1-2,6,9,18H,3-5,7-8H2
InChIKeyJKSVCMZAZJMXGX-UHFFFAOYSA-N
XLogP2.29
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 170785077) is 7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine is FC(F)(F)c1cnc2nc(CC3CC4(CNC4)C3)ccn12.
What is the InChIKey of 7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is JKSVCMZAZJMXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)11-6-19-12-20-10(1-2-21(11)12)3-9-4-13(5-9)7-18-8-13/h1-2,6,9,18H,3-5,7-8H2.
What are the key properties of 7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 296.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 170785077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).