8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine

C15H22F3N3O2 — CID 169255591

IUPAC8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine
SMILESCOCC12CCCN1CCC2.COc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C9H17NO.C6H5F3N2O/c1-11-8-9-4-2-6-10(9)7-3-5-9;1-12-4-2-3-10-5(11-4)6(7,8)9/h2-8H2,1H3;2-3H,1H3
InChIKeyMZLXQZXOCXWGRP-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.77
Rot. Bonds3

About 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine

8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine (PubChem CID 169255591) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine
PubChem CID169255591
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine
SMILESCOCC12CCCN1CCC2.COc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C9H17NO.C6H5F3N2O/c1-11-8-9-4-2-6-10(9)7-3-5-9;1-12-4-2-3-10-5(11-4)6(7,8)9/h2-8H2,1H3;2-3H,1H3
InChIKeyMZLXQZXOCXWGRP-UHFFFAOYSA-N
XLogP2.77
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine (CID 169255591) is 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine is COCC12CCCN1CCC2.COc1ccnc(C(F)(F)F)n1.
What is the InChIKey of 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine?
The InChIKey is MZLXQZXOCXWGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C6H5F3N2O/c1-11-8-9-4-2-6-10(9)7-3-5-9;1-12-4-2-3-10-5(11-4)6(7,8)9/h2-8H2,1H3;2-3H,1H3.
What are the key properties of 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine?
8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine has a molecular weight of 333.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;4-methoxy-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 169255591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).