8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane

C14H17ClF3N3 — CID 106767758

IUPAC8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1nc(Cl)cc(N2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C14H17ClF3N3/c15-10-9-11(20-12(19-10)14(16,17)18)21-7-5-13(6-8-21)3-1-2-4-13/h9H,1-8H2
InChIKeyZWASEUKYLDQOFC-UHFFFAOYSA-N
MW319.76 g/mol
LogP4.31
Rot. Bonds1

About 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane

8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane (PubChem CID 106767758) has the molecular formula C14H17ClF3N3 and a molecular weight of 319.76 g/mol. Its IUPAC name is 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane
PubChem CID106767758
Molecular FormulaC14H17ClF3N3
Molecular Weight319.76 g/mol
Exact Mass319.11
IUPAC Name8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1nc(Cl)cc(N2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C14H17ClF3N3/c15-10-9-11(20-12(19-10)14(16,17)18)21-7-5-13(6-8-21)3-1-2-4-13/h9H,1-8H2
InChIKeyZWASEUKYLDQOFC-UHFFFAOYSA-N
XLogP4.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylpiperazin-1-yl)-6-chloro-2-(trifluoromethyl)pyrimidine
CID 106767317
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine
CID 106768492
4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine
CID 106767336
[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 106767232
4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106767266
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 106767915
N-[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 106768259
(2S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 145433357
2-tert-butyl-4-chloro-6-(3,3-dimethylpyrrolidin-1-yl)pyrimidine
CID 80951390
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
5-fluoro-5-methyl-2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-azaspiro[5.5]undecane
CID 177059913
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107460198

Frequently Asked Questions

What is the IUPAC name of 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane?
The IUPAC name of 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane (CID 106767758) is 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane is FC(F)(F)c1nc(Cl)cc(N2CCC3(CCCC3)CC2)n1.
What is the InChIKey of 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane?
The InChIKey is ZWASEUKYLDQOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N3/c15-10-9-11(20-12(19-10)14(16,17)18)21-7-5-13(6-8-21)3-1-2-4-13/h9H,1-8H2.
What are the key properties of 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane?
8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane has a molecular weight of 319.76 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane is sourced from PubChem (CID 106767758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).