1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol

C13H18F3N3O — CID 71127560

IUPAC1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCC(C)N1c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C13H18F3N3O/c1-8-3-4-11(5-9(2)20)19(8)12-17-6-10(7-18-12)13(14,15)16/h6-9,11,20H,3-5H2,1-2H3
InChIKeyKTGSWKMUWPKPFS-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.62
Rot. Bonds3

About 1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol

1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 71127560) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol
PubChem CID71127560
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCC(C)N1c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C13H18F3N3O/c1-8-3-4-11(5-9(2)20)19(8)12-17-6-10(7-18-12)13(14,15)16/h6-9,11,20H,3-5H2,1-2H3
InChIKeyKTGSWKMUWPKPFS-UHFFFAOYSA-N
XLogP2.62
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol (CID 71127560) is 1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol is CC(O)CC1CCC(C)N1c1ncc(C(F)(F)F)cn1.
What is the InChIKey of 1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is KTGSWKMUWPKPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8-3-4-11(5-9(2)20)19(8)12-17-6-10(7-18-12)13(14,15)16/h6-9,11,20H,3-5H2,1-2H3.
What are the key properties of 1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol?
1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 289.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 71127560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).