(2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide

C11H13F3N4O2 — CID 128978423

IUPAC(2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13F3N4O2/c1-20-6-4-7(9(15)19)18(5-6)10-16-3-2-8(17-10)11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H2,15,19)/t6-,7-/m0/s1
InChIKeyFHOJZTKUJWYEFU-BQBZGAKWSA-N
MW290.25 g/mol
LogP0.57
Rot. Bonds3

About (2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 128978423) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide
PubChem CID128978423
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name(2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13F3N4O2/c1-20-6-4-7(9(15)19)18(5-6)10-16-3-2-8(17-10)11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H2,15,19)/t6-,7-/m0/s1
InChIKeyFHOJZTKUJWYEFU-BQBZGAKWSA-N
XLogP0.57
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide 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 (2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 128978423) is (2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of (2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is FHOJZTKUJWYEFU-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-20-6-4-7(9(15)19)18(5-6)10-16-3-2-8(17-10)11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H2,15,19)/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 128978423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).