3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol

C10H12F3N3O3S — CID 142309703

IUPAC3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol
SMILESO=S(c1cnc(C(F)(F)F)nc1)N1CCC(O)(CO)C1
InChIInChI=1S/C10H12F3N3O3S/c11-10(12,13)8-14-3-7(4-15-8)20(19)16-2-1-9(18,5-16)6-17/h3-4,17-18H,1-2,5-6H2
InChIKeyGNXIHHMZUNVGQJ-UHFFFAOYSA-N
MW311.29 g/mol
LogP-0.05
Rot. Bonds3

About 3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol

3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol (PubChem CID 142309703) has the molecular formula C10H12F3N3O3S and a molecular weight of 311.29 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol
PubChem CID142309703
Molecular FormulaC10H12F3N3O3S
Molecular Weight311.29 g/mol
Exact Mass311.06
IUPAC Name3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol
SMILESO=S(c1cnc(C(F)(F)F)nc1)N1CCC(O)(CO)C1
InChIInChI=1S/C10H12F3N3O3S/c11-10(12,13)8-14-3-7(4-15-8)20(19)16-2-1-9(18,5-16)6-17/h3-4,17-18H,1-2,5-6H2
InChIKeyGNXIHHMZUNVGQJ-UHFFFAOYSA-N
XLogP-0.05
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol?
The IUPAC name of 3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol (CID 142309703) is 3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol is O=S(c1cnc(C(F)(F)F)nc1)N1CCC(O)(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol?
The InChIKey is GNXIHHMZUNVGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3S/c11-10(12,13)8-14-3-7(4-15-8)20(19)16-2-1-9(18,5-16)6-17/h3-4,17-18H,1-2,5-6H2.
What are the key properties of 3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol?
3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol has a molecular weight of 311.29 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]sulfinylpyrrolidin-3-ol is sourced from PubChem (CID 142309703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).