4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one

C10H10F3N3O2 — CID 168664300

IUPAC4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)7-1-2-14-9(15-7)16-4-6(5-17)3-8(16)18/h1-2,6,17H,3-5H2
InChIKeyLRBFVTPQEDUNLC-UHFFFAOYSA-N
MW261.20 g/mol
LogP0.84
Rot. Bonds2

About 4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one (PubChem CID 168664300) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
PubChem CID168664300
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)7-1-2-14-9(15-7)16-4-6(5-17)3-8(16)18/h1-2,6,17H,3-5H2
InChIKeyLRBFVTPQEDUNLC-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4R)-4-(pyrrolidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
CID 70731289
3-Hydroxy-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-one
CID 53923628
1-[2-Hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one
CID 71058110
3-[4-(Trifluoromethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid
CID 91149200
3-[4-(Trifluoromethyl)pyrimidin-2-yl]pyrrolidine-1-carbaldehyde
CID 171439297
(4R)-4-propan-2-yl-3-[3-[4-(trifluoromethyl)pyrimidin-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 171558723
1-Oxo-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-8-carboxylic acid
CID 172220268
1-Ethyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
CID 45933467
1-[4-(Trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 60507589
1-(4-Methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708183
1-[4-(Trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
CID 64585846
[1-[4-(Trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
CID 64585861

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one (CID 168664300) is 4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one is O=C1CC(CO)CN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of 4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
The InChIKey is LRBFVTPQEDUNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)7-1-2-14-9(15-7)16-4-6(5-17)3-8(16)18/h1-2,6,17H,3-5H2.
What are the key properties of 4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one has a molecular weight of 261.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168664300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).