2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

C12H14F3N3O2 — CID 95830111

IUPAC2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nc([C@@H]2CCCN2C(=O)CO)n1
InChIInChI=1S/C12H14F3N3O2/c1-7-5-9(12(13,14)15)17-11(16-7)8-3-2-4-18(8)10(20)6-19/h5,8,19H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyJKPMQPRPLAFTEH-QMMMGPOBSA-N
MW289.26 g/mol
LogP1.46
Rot. Bonds2

About 2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95830111) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID95830111
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nc([C@@H]2CCCN2C(=O)CO)n1
InChIInChI=1S/C12H14F3N3O2/c1-7-5-9(12(13,14)15)17-11(16-7)8-3-2-4-18(8)10(20)6-19/h5,8,19H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyJKPMQPRPLAFTEH-QMMMGPOBSA-N
XLogP1.46
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone 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 2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 95830111) is 2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is Cc1cc(C(F)(F)F)nc([C@@H]2CCCN2C(=O)CO)n1.
What is the InChIKey of 2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is JKPMQPRPLAFTEH-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-7-5-9(12(13,14)15)17-11(16-7)8-3-2-4-18(8)10(20)6-19/h5,8,19H,2-4,6H2,1H3/t8-/m0/s1.
What are the key properties of 2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 289.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95830111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).