5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine

C15H14F3N3O — CID 117230766

IUPAC5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccccc1-c1ncc(OC2CCNC2)cn1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)13-4-2-1-3-12(13)14-20-8-11(9-21-14)22-10-5-6-19-7-10/h1-4,8-10,19H,5-7H2
InChIKeySUUGTFKXFNJMAJ-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.90
Rot. Bonds3

About 5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine

5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 117230766) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine
PubChem CID117230766
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccccc1-c1ncc(OC2CCNC2)cn1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)13-4-2-1-3-12(13)14-20-8-11(9-21-14)22-10-5-6-19-7-10/h1-4,8-10,19H,5-7H2
InChIKeySUUGTFKXFNJMAJ-UHFFFAOYSA-N
XLogP2.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine (CID 117230766) is 5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccccc1-c1ncc(OC2CCNC2)cn1.
What is the InChIKey of 5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is SUUGTFKXFNJMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)13-4-2-1-3-12(13)14-20-8-11(9-21-14)22-10-5-6-19-7-10/h1-4,8-10,19H,5-7H2.
What are the key properties of 5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine?
5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 309.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yloxy-2-[2-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 117230766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).