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

C17H26F3N3O2 — CID 176943604

IUPAC4-methoxy-2-(trifluoromethyl)pyrimidine;8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC12CCCN1CCC2.COc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C11H21NO.C6H5F3N2O/c1-10(2)13-9-11-5-3-7-12(11)8-4-6-11;1-12-4-2-3-10-5(11-4)6(7,8)9/h10H,3-9H2,1-2H3;2-3H,1H3
InChIKeyKIUSVVVXRCNLOP-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.54
Rot. Bonds4

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

4-methoxy-2-(trifluoromethyl)pyrimidine;8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 176943604) has the molecular formula C17H26F3N3O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-methoxy-2-(trifluoromethyl)pyrimidine;8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name4-methoxy-2-(trifluoromethyl)pyrimidine;8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID176943604
Molecular FormulaC17H26F3N3O2
Molecular Weight361.41 g/mol
Exact Mass361.20
IUPAC Name4-methoxy-2-(trifluoromethyl)pyrimidine;8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC12CCCN1CCC2.COc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C11H21NO.C6H5F3N2O/c1-10(2)13-9-11-5-3-7-12(11)8-4-6-11;1-12-4-2-3-10-5(11-4)6(7,8)9/h10H,3-9H2,1-2H3;2-3H,1H3
InChIKeyKIUSVVVXRCNLOP-UHFFFAOYSA-N
XLogP3.54
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(trifluoromethyl)pyrimidine;8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 4-methoxy-2-(trifluoromethyl)pyrimidine;8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 176943604) is 4-methoxy-2-(trifluoromethyl)pyrimidine;8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 4-methoxy-2-(trifluoromethyl)pyrimidine;8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 4-methoxy-2-(trifluoromethyl)pyrimidine;8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)OCC12CCCN1CCC2.COc1ccnc(C(F)(F)F)n1.
What is the InChIKey of 4-methoxy-2-(trifluoromethyl)pyrimidine;8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is KIUSVVVXRCNLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C6H5F3N2O/c1-10(2)13-9-11-5-3-7-12(11)8-4-6-11;1-12-4-2-3-10-5(11-4)6(7,8)9/h10H,3-9H2,1-2H3;2-3H,1H3.
What are the key properties of 4-methoxy-2-(trifluoromethyl)pyrimidine;8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
4-methoxy-2-(trifluoromethyl)pyrimidine;8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 361.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(trifluoromethyl)pyrimidine;8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 176943604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).