3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol

C10H12F3N3O — CID 113248947

IUPAC3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESCC1(O)CCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H12F3N3O/c1-9(17)3-5-16(6-9)8-14-4-2-7(15-8)10(11,12)13/h2,4,17H,3,5-6H2,1H3
InChIKeyWNXBMLCPIBBWHW-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.46
Rot. Bonds1

About 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol

3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (PubChem CID 113248947) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
PubChem CID113248947
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESCC1(O)CCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H12F3N3O/c1-9(17)3-5-16(6-9)8-14-4-2-7(15-8)10(11,12)13/h2,4,17H,3,5-6H2,1H3
InChIKeyWNXBMLCPIBBWHW-UHFFFAOYSA-N
XLogP1.46
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (CID 113248947) is 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol is CC1(O)CCN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The InChIKey is WNXBMLCPIBBWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-9(17)3-5-16(6-9)8-14-4-2-7(15-8)10(11,12)13/h2,4,17H,3,5-6H2,1H3.
What are the key properties of 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol has a molecular weight of 247.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 113248947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).