3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane

C15H20F3N3O — CID 131661576

IUPAC3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane
SMILESCC(C)C1COC2(CCN(c3nccc(C(F)(F)F)n3)C2)C1
InChIInChI=1S/C15H20F3N3O/c1-10(2)11-7-14(22-8-11)4-6-21(9-14)13-19-5-3-12(20-13)15(16,17)18/h3,5,10-11H,4,6-9H2,1-2H3
InChIKeyLOESOPJPJRGQTL-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.14
Rot. Bonds2

About 3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane

3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 131661576) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane
PubChem CID131661576
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane
SMILESCC(C)C1COC2(CCN(c3nccc(C(F)(F)F)n3)C2)C1
InChIInChI=1S/C15H20F3N3O/c1-10(2)11-7-14(22-8-11)4-6-21(9-14)13-19-5-3-12(20-13)15(16,17)18/h3,5,10-11H,4,6-9H2,1-2H3
InChIKeyLOESOPJPJRGQTL-UHFFFAOYSA-N
XLogP3.14
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(6-methylpyridazin-3-yl)-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
CID 134077281
1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 128731486
4-methyl-9-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 137344903
4-[(3R,5R)-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonan-7-yl]benzonitrile
CID 124520491
3-propan-2-yl-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134070216
2,2,3-trimethyl-N-[[2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-2-yl]methyl]butanamide
CID 154784022
2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 166068939
3-propan-2-yl-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155842690
[(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 91369014
3-ethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 64586238
2,2-diethyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-thiazinane 1,1-dioxide
CID 133496926
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
CID 97485296

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane (CID 131661576) is 3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane is CC(C)C1COC2(CCN(c3nccc(C(F)(F)F)n3)C2)C1.
What is the InChIKey of 3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is LOESOPJPJRGQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-10(2)11-7-14(22-8-11)4-6-21(9-14)13-19-5-3-12(20-13)15(16,17)18/h3,5,10-11H,4,6-9H2,1-2H3.
What are the key properties of 3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane?
3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 315.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-7-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 131661576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).