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

C17H27FN4 — CID 70846940

IUPAC2-tert-butyl-8-[2-(fluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CCN(c3ccnc(CF)n3)CC2)C1
InChIInChI=1S/C17H27FN4/c1-16(2,3)22-11-7-17(13-22)5-9-21(10-6-17)15-4-8-19-14(12-18)20-15/h4,8H,5-7,9-13H2,1-3H3
InChIKeyAIUZNWCDJGDTCL-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.04
Rot. Bonds2

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

2-tert-butyl-8-[2-(fluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane (PubChem CID 70846940) has the molecular formula C17H27FN4 and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-tert-butyl-8-[2-(fluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-tert-butyl-8-[2-(fluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
PubChem CID70846940
Molecular FormulaC17H27FN4
Molecular Weight306.43 g/mol
Exact Mass306.22
IUPAC Name2-tert-butyl-8-[2-(fluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CCN(c3ccnc(CF)n3)CC2)C1
InChIInChI=1S/C17H27FN4/c1-16(2,3)22-11-7-17(13-22)5-9-21(10-6-17)15-4-8-19-14(12-18)20-15/h4,8H,5-7,9-13H2,1-3H3
InChIKeyAIUZNWCDJGDTCL-UHFFFAOYSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.04
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-(fluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-tert-butyl-8-[2-(fluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane (CID 70846940) is 2-tert-butyl-8-[2-(fluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-tert-butyl-8-[2-(fluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-tert-butyl-8-[2-(fluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane is CC(C)(C)N1CCC2(CCN(c3ccnc(CF)n3)CC2)C1.
What is the InChIKey of 2-tert-butyl-8-[2-(fluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
The InChIKey is AIUZNWCDJGDTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4/c1-16(2,3)22-11-7-17(13-22)5-9-21(10-6-17)15-4-8-19-14(12-18)20-15/h4,8H,5-7,9-13H2,1-3H3.
What are the key properties of 2-tert-butyl-8-[2-(fluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
2-tert-butyl-8-[2-(fluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane has a molecular weight of 306.43 g/mol, XLogP of 3.04, 2 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-(fluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 70846940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).