8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine

C15H20F3N3O2 — CID 177009876

IUPAC8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOCC12CCCN1C(COc1ncncc1C(F)(F)F)CC2
InChIInChI=1S/C15H20F3N3O2/c1-22-9-14-4-2-6-21(14)11(3-5-14)8-23-13-12(15(16,17)18)7-19-10-20-13/h7,10-11H,2-6,8-9H2,1H3
InChIKeyIHNZQJVLDQDQPR-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.52
Rot. Bonds5

About 8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine

8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 177009876) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID177009876
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOCC12CCCN1C(COc1ncncc1C(F)(F)F)CC2
InChIInChI=1S/C15H20F3N3O2/c1-22-9-14-4-2-6-21(14)11(3-5-14)8-23-13-12(15(16,17)18)7-19-10-20-13/h7,10-11H,2-6,8-9H2,1H3
InChIKeyIHNZQJVLDQDQPR-UHFFFAOYSA-N
XLogP2.52
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,8S)-8-(methoxymethyl)-3-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 169254790
(3S,8S)-3-[[2-(difluoromethyl)pyrimidin-4-yl]oxymethyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 169255002
8-(Methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine
CID 169255591
[(3S,8S)-3-[[5-(difluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 169315250
[(3S,8S)-3-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 169315389
[(3S,8S)-3-[[2-(difluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 169315390
(3S,8S)-3-[[5-(difluoromethyl)pyrimidin-4-yl]oxymethyl]-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 170342664
(3S,8S)-3-[[5-(1-fluoroethyl)pyrimidin-4-yl]oxymethyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 170367532
(3S,8S)-3-[[2-(1-fluoroethyl)pyrimidin-4-yl]oxymethyl]-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 170367533
(3S,8S)-8-ethyl-3-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 170367926
(3S,8S)-3-[[5-(difluoromethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 170368012
(3S,8S)-3-[[5-(difluoromethyl)pyrimidin-4-yl]oxymethyl]-8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 170368013

Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine (CID 177009876) is 8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine is COCC12CCCN1C(COc1ncncc1C(F)(F)F)CC2.
What is the InChIKey of 8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is IHNZQJVLDQDQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-22-9-14-4-2-6-21(14)11(3-5-14)8-23-13-12(15(16,17)18)7-19-10-20-13/h7,10-11H,2-6,8-9H2,1H3.
What are the key properties of 8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 331.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-3-[[5-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 177009876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).