1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid

C10H10F3N3O2 — CID 102549328

IUPAC1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)7-3-8(15-5-14-7)16-2-1-6(4-16)9(17)18/h3,5-6H,1-2,4H2,(H,17,18)
InChIKeyNADDQDSAZNKBAR-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.41
Rot. Bonds2

About 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid

1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid (PubChem CID 102549328) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
PubChem CID102549328
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)7-3-8(15-5-14-7)16-2-1-6(4-16)9(17)18/h3,5-6H,1-2,4H2,(H,17,18)
InChIKeyNADDQDSAZNKBAR-UHFFFAOYSA-N
XLogP1.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic Acid
CID 2777798
6-[4-(Trifluoromethyl)pyrimidin-2-yl]-6-azaspiro[3.4]octane-8-carboxylic acid
CID 122160561
(8R)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-6-azaspiro[3.4]octane-8-carboxylic acid
CID 129525418
(3S,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 136588245
(3S,4S)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3,4-dimethylpyrrolidine-3-carboxylic acid
CID 138003003
3-Methyl-2-oxo-1-[6-(trifluoromethyl)-4-pyrimidinyl]-4-imidazolidinecarboxylic acid
CID 67103402
3-[4-(Trifluoromethyl)pyrimidin-2-yl]propanoic acid
CID 71301531
1-[6-(Trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 75466422
Ethyl 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 118020322
1-(6-Cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid
CID 166099851
2-[1-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]acetic acid
CID 175435462
2-[1-[2-(2-Methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]acetic acid
CID 175435469

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid (CID 102549328) is 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2cc(C(F)(F)F)ncn2)C1.
What is the InChIKey of 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is NADDQDSAZNKBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)7-3-8(15-5-14-7)16-2-1-6(4-16)9(17)18/h3,5-6H,1-2,4H2,(H,17,18).
What are the key properties of 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid?
1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 261.20 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102549328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).