2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine

C15H14F3N3O — CID 117231493

IUPAC2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2cnc(C3CCCN3)nc2)c1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)10-3-1-4-11(7-10)22-12-8-20-14(21-9-12)13-5-2-6-19-13/h1,3-4,7-9,13,19H,2,5-6H2
InChIKeyFJTRBIHUXMQUIG-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.71
Rot. Bonds3

About 2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine

2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 117231493) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID117231493
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2cnc(C3CCCN3)nc2)c1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)10-3-1-4-11(7-10)22-12-8-20-14(21-9-12)13-5-2-6-19-13/h1,3-4,7-9,13,19H,2,5-6H2
InChIKeyFJTRBIHUXMQUIG-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine 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

5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole
CID 114703043
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine
CID 103693387
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196029
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 66519435
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 13336606
(2R)-2-[2,5-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196002
5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine
CID 117231457

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 117231493) is 2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine is FC(F)(F)c1cccc(Oc2cnc(C3CCCN3)nc2)c1.
What is the InChIKey of 2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is FJTRBIHUXMQUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)10-3-1-4-11(7-10)22-12-8-20-14(21-9-12)13-5-2-6-19-13/h1,3-4,7-9,13,19H,2,5-6H2.
What are the key properties of 2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine?
2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 309.29 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-5-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 117231493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).