(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C11H13F3N4O — CID 95302854

IUPAC(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN1c1ncccn1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)7-17-9(19)8-3-1-6-18(8)10-15-4-2-5-16-10/h2,4-5,8H,1,3,6-7H2,(H,17,19)/t8-/m1/s1
InChIKeyDGVYIIQSQBROJN-MRVPVSSYSA-N
MW274.25 g/mol
LogP1.12
Rot. Bonds3

About (2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 95302854) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is (2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID95302854
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN1c1ncccn1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)7-17-9(19)8-3-1-6-18(8)10-15-4-2-5-16-10/h2,4-5,8H,1,3,6-7H2,(H,17,19)/t8-/m1/s1
InChIKeyDGVYIIQSQBROJN-MRVPVSSYSA-N
XLogP1.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 138041639
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 103801069
(2S)-1-[5-fluoro-2-(2-fluoro-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 59374520
(2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 51935919
N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 103861720
N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 83216321
(2R)-1-(2-nitrophenyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95625612
(2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 54991238
N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 115770837
4-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 61244571
(2S)-N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 32877863
N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 126810226

Frequently Asked Questions

What is the IUPAC name of (2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 95302854) is (2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is O=C(NCC(F)(F)F)[C@H]1CCCN1c1ncccn1.
What is the InChIKey of (2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is DGVYIIQSQBROJN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)7-17-9(19)8-3-1-6-18(8)10-15-4-2-5-16-10/h2,4-5,8H,1,3,6-7H2,(H,17,19)/t8-/m1/s1.
What are the key properties of (2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 274.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95302854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).