2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane

C17H25F3N4 — CID 59505485

IUPAC2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CCN(c3ccnc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C17H25F3N4/c1-15(2,3)24-11-7-16(12-24)5-9-23(10-6-16)13-4-8-21-14(22-13)17(18,19)20/h4,8H,5-7,9-12H2,1-3H3
InChIKeyFQJMYCBLERGHBB-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.59
Rot. Bonds1

About 2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane

2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane (PubChem CID 59505485) has the molecular formula C17H25F3N4 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
PubChem CID59505485
Molecular FormulaC17H25F3N4
Molecular Weight342.41 g/mol
Exact Mass342.20
IUPAC Name2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CCN(c3ccnc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C17H25F3N4/c1-15(2,3)24-11-7-16(12-24)5-9-23(10-6-16)13-4-8-21-14(22-13)17(18,19)20/h4,8H,5-7,9-12H2,1-3H3
InChIKeyFQJMYCBLERGHBB-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane (CID 59505485) is 2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane is CC(C)(C)N1CCC2(CCN(c3ccnc(C(F)(F)F)n3)CC2)C1.
What is the InChIKey of 2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
The InChIKey is FQJMYCBLERGHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4/c1-15(2,3)24-11-7-16(12-24)5-9-23(10-6-16)13-4-8-21-14(22-13)17(18,19)20/h4,8H,5-7,9-12H2,1-3H3.
What are the key properties of 2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane has a molecular weight of 342.41 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 59505485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).