2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine

C9H10F3N3O — CID 64585868

IUPAC2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(OC2CCNC2)n1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)7-2-4-14-8(15-7)16-6-1-3-13-5-6/h2,4,6,13H,1,3,5H2
InChIKeyWOVWDNCGCDNZLQ-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.24
Rot. Bonds2

About 2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine

2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine (PubChem CID 64585868) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine
PubChem CID64585868
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(OC2CCNC2)n1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)7-2-4-14-8(15-7)16-6-1-3-13-5-6/h2,4,6,13H,1,3,5H2
InChIKeyWOVWDNCGCDNZLQ-UHFFFAOYSA-N
XLogP1.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine (CID 64585868) is 2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(OC2CCNC2)n1.
What is the InChIKey of 2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine?
The InChIKey is WOVWDNCGCDNZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)7-2-4-14-8(15-7)16-6-1-3-13-5-6/h2,4,6,13H,1,3,5H2.
What are the key properties of 2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine?
2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine has a molecular weight of 233.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yloxy-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 64585868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).