(2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide

C11H13F3N4O — CID 175925266

IUPAC(2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cnc(C(F)(F)F)nc1)[C@H]1CCCN1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)10-17-5-7(6-18-10)4-16-9(19)8-2-1-3-15-8/h5-6,8,15H,1-4H2,(H,16,19)/t8-/m1/s1
InChIKeyHPRQTRSIEBUDNX-MRVPVSSYSA-N
MW274.25 g/mol
LogP0.86
Rot. Bonds3

About (2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide

(2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 175925266) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is (2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID175925266
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name(2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cnc(C(F)(F)F)nc1)[C@H]1CCCN1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)10-17-5-7(6-18-10)4-16-9(19)8-2-1-3-15-8/h5-6,8,15H,1-4H2,(H,16,19)/t8-/m1/s1
InChIKeyHPRQTRSIEBUDNX-MRVPVSSYSA-N
XLogP0.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide (CID 175925266) is (2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cnc(C(F)(F)F)nc1)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is HPRQTRSIEBUDNX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)10-17-5-7(6-18-10)4-16-9(19)8-2-1-3-15-8/h5-6,8,15H,1-4H2,(H,16,19)/t8-/m1/s1.
What are the key properties of (2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide?
(2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 274.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 175925266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).