8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane

C16H22F3N3O — CID 56880549

IUPAC8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)c1cc(N2CCC3(CCCO3)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C16H22F3N3O/c1-11(2)12-10-13(21-14(20-12)16(17,18)19)22-7-5-15(6-8-22)4-3-9-23-15/h10-11H,3-9H2,1-2H3
InChIKeyPARYBHMKDSPKOU-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.77
Rot. Bonds2

About 8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane

8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 56880549) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID56880549
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
SMILESCC(C)c1cc(N2CCC3(CCCO3)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C16H22F3N3O/c1-11(2)12-10-13(21-14(20-12)16(17,18)19)22-7-5-15(6-8-22)4-3-9-23-15/h10-11H,3-9H2,1-2H3
InChIKeyPARYBHMKDSPKOU-UHFFFAOYSA-N
XLogP3.77
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
CID 167743997
(3R)-3-(2-methoxyethyl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 95559913
(2S)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxylic acid
CID 95455758
9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-3-oxa-9-azaspiro[5.5]undecane
CID 131963146
4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 56742279
8-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-8-azaspiro[4.5]decane
CID 106767758
9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane
CID 133493950
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
7-[2-(trifluoromethyl)-7H-purin-6-yl]-1-oxa-7-azaspiro[3.5]nonane
CID 138992024
5-fluoro-5-methyl-2-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-azaspiro[5.5]undecane
CID 177059913
[6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]methanol
CID 122476904
1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409198

Frequently Asked Questions

What is the IUPAC name of 8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane (CID 56880549) is 8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane is CC(C)c1cc(N2CCC3(CCCO3)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is PARYBHMKDSPKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-11(2)12-10-13(21-14(20-12)16(17,18)19)22-7-5-15(6-8-22)4-3-9-23-15/h10-11H,3-9H2,1-2H3.
What are the key properties of 8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane?
8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 329.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 56880549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).