2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane

C17H25F3N4 — CID 59505282

IUPAC2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CCN(c3ncc(C(F)(F)F)cn3)CC2)C1
InChIInChI=1S/C17H25F3N4/c1-15(2,3)24-9-6-16(12-24)4-7-23(8-5-16)14-21-10-13(11-22-14)17(18,19)20/h10-11H,4-9,12H2,1-3H3
InChIKeyFTRODOCCDBDYJH-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.59
Rot. Bonds1

About 2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane

2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane (PubChem CID 59505282) has the molecular formula C17H25F3N4 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane
PubChem CID59505282
Molecular FormulaC17H25F3N4
Molecular Weight342.41 g/mol
Exact Mass342.20
IUPAC Name2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CCN(c3ncc(C(F)(F)F)cn3)CC2)C1
InChIInChI=1S/C17H25F3N4/c1-15(2,3)24-9-6-16(12-24)4-7-23(8-5-16)14-21-10-13(11-22-14)17(18,19)20/h10-11H,4-9,12H2,1-3H3
InChIKeyFTRODOCCDBDYJH-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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Related Compounds

7-(Cyclobutylmethyl)-2-[(2-methyl-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45193840
7-(Cyclobutylmethyl)-2-[(2-methoxy-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45229858
9-(Cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45239115
7-(Cyclobutylmethyl)-2-[(2-ethyl-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45252850
N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 51594519
5-(2,8-diazaspiro[4.5]dec-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine
CID 56712809
5-{[3-(1-Piperidinylmethyl)-1-piperidinyl]methyl}-2-(1-pyrrolidinyl)pyrimidine
CID 70744725
2-Methyl-8-(5-methylpyrimidin-2-YL)-2,8-diazaspiro[5.5]undecane
CID 72936007
(3aS,7aS)-5-(cyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97402618
1-[(2S,3aR,7aS)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 97460070
(3aR,7aS)-5-(cyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97510969
9-(5-Fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739503

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane (CID 59505282) is 2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane is CC(C)(C)N1CCC2(CCN(c3ncc(C(F)(F)F)cn3)CC2)C1.
What is the InChIKey of 2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane?
The InChIKey is FTRODOCCDBDYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4/c1-15(2,3)24-9-6-16(12-24)4-7-23(8-5-16)14-21-10-13(11-22-14)17(18,19)20/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane?
2-tert-butyl-8-[5-(trifluoromethyl)pyrimidin-2-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-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 59505282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).