6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane

C15H18F3N3 — CID 170784763

IUPAC6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane
SMILESFC(F)(F)C1(c2ccnc(CC3CC4(CNC4)C3)n2)CC1
InChIInChI=1S/C15H18F3N3/c16-15(17,18)14(2-3-14)11-1-4-20-12(21-11)5-10-6-13(7-10)8-19-9-13/h1,4,10,19H,2-3,5-9H2
InChIKeyYSBUWEWSMMGHGV-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.61
Rot. Bonds3

About 6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane

6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane (PubChem CID 170784763) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane
PubChem CID170784763
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane
SMILESFC(F)(F)C1(c2ccnc(CC3CC4(CNC4)C3)n2)CC1
InChIInChI=1S/C15H18F3N3/c16-15(17,18)14(2-3-14)11-1-4-20-12(21-11)5-10-6-13(7-10)8-19-9-13/h1,4,10,19H,2-3,5-9H2
InChIKeyYSBUWEWSMMGHGV-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane (CID 170784763) is 6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane is FC(F)(F)C1(c2ccnc(CC3CC4(CNC4)C3)n2)CC1.
What is the InChIKey of 6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane?
The InChIKey is YSBUWEWSMMGHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c16-15(17,18)14(2-3-14)11-1-4-20-12(21-11)5-10-6-13(7-10)8-19-9-13/h1,4,10,19H,2-3,5-9H2.
What are the key properties of 6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane?
6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane has a molecular weight of 297.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 170784763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).