4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one

C10H12F3N3O2 — CID 136949005

IUPAC4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(O)(C(F)(F)F)C2)cc(=O)[nH]1
InChIInChI=1S/C10H12F3N3O2/c1-6-14-7(4-8(17)15-6)16-3-2-9(18,5-16)10(11,12)13/h4,18H,2-3,5H2,1H3,(H,14,15,17)
InChIKeyOOMCXTRGRVHSDH-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.58
Rot. Bonds1

About 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one

4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136949005) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136949005
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(O)(C(F)(F)F)C2)cc(=O)[nH]1
InChIInChI=1S/C10H12F3N3O2/c1-6-14-7(4-8(17)15-6)16-3-2-9(18,5-16)10(11,12)13/h4,18H,2-3,5H2,1H3,(H,14,15,17)
InChIKeyOOMCXTRGRVHSDH-UHFFFAOYSA-N
XLogP0.58
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136794221
4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 137015803
4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 137008576
2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
2-[[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136813067
2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1H-pyrimidin-6-one
CID 136957925
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842971
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-6-one
CID 136957952
2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957344
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]ethanethioamide
CID 136973219
4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958918

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 136949005) is 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCC(O)(C(F)(F)F)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is OOMCXTRGRVHSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-6-14-7(4-8(17)15-6)16-3-2-9(18,5-16)10(11,12)13/h4,18H,2-3,5H2,1H3,(H,14,15,17).
What are the key properties of 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 263.22 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136949005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).