(2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid

C11H12F3N3O2 — CID 26872050

IUPAC(2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)nc(N2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C11H12F3N3O2/c1-6-5-8(11(12,13)14)16-10(15-6)17-4-2-3-7(17)9(18)19/h5,7H,2-4H2,1H3,(H,18,19)/t7-/m1/s1
InChIKeyLDONYIQYTZMVRP-SSDOTTSWSA-N
MW275.23 g/mol
LogP1.86
Rot. Bonds2

About (2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid

(2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid (PubChem CID 26872050) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is (2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
PubChem CID26872050
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name(2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
SMILESCc1cc(C(F)(F)F)nc(N2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C11H12F3N3O2/c1-6-5-8(11(12,13)14)16-10(15-6)17-4-2-3-7(17)9(18)19/h5,7H,2-4H2,1H3,(H,18,19)/t7-/m1/s1
InChIKeyLDONYIQYTZMVRP-SSDOTTSWSA-N
XLogP1.86
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4,6-bis(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 166155818
(2R)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122051698
(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 120965085
1-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]pyrrolidine-2-carboxylic acid
CID 23477096
1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 44824534
1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 127244749
1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124973760
4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 167798581
1-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidine-2-carboxylic acid
CID 136741440
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
(2S)-1-[5-bromo-6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059652
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid (CID 26872050) is (2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid is Cc1cc(C(F)(F)F)nc(N2CCC[C@@H]2C(=O)O)n1.
What is the InChIKey of (2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is LDONYIQYTZMVRP-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c1-6-5-8(11(12,13)14)16-10(15-6)17-4-2-3-7(17)9(18)19/h5,7H,2-4H2,1H3,(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid?
(2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 26872050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).