6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine

C15H13F3N6O — CID 133446315

IUPAC6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine
SMILESFC(F)(F)c1ccc(OC2CCN(c3ncnc4nc[nH]c34)C2)nc1
InChIInChI=1S/C15H13F3N6O/c16-15(17,18)9-1-2-11(19-5-9)25-10-3-4-24(6-10)14-12-13(21-7-20-12)22-8-23-14/h1-2,5,7-8,10H,3-4,6H2,(H,20,21,22,23)
InChIKeyYEYVNSZARSVHCL-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.42
Rot. Bonds3

About 6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine

6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine (PubChem CID 133446315) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is 6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine
PubChem CID133446315
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC Name6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine
SMILESFC(F)(F)c1ccc(OC2CCN(c3ncnc4nc[nH]c34)C2)nc1
InChIInChI=1S/C15H13F3N6O/c16-15(17,18)9-1-2-11(19-5-9)25-10-3-4-24(6-10)14-12-13(21-7-20-12)22-8-23-14/h1-2,5,7-8,10H,3-4,6H2,(H,20,21,22,23)
InChIKeyYEYVNSZARSVHCL-UHFFFAOYSA-N
XLogP2.42
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine?
The IUPAC name of 6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine (CID 133446315) is 6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine.
What is the SMILES notation for 6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine?
The canonical SMILES for 6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine is FC(F)(F)c1ccc(OC2CCN(c3ncnc4nc[nH]c34)C2)nc1.
What is the InChIKey of 6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine?
The InChIKey is YEYVNSZARSVHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O/c16-15(17,18)9-1-2-11(19-5-9)25-10-3-4-24(6-10)14-12-13(21-7-20-12)22-8-23-14/h1-2,5,7-8,10H,3-4,6H2,(H,20,21,22,23).
What are the key properties of 6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine?
6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine has a molecular weight of 350.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-7H-purine is sourced from PubChem (CID 133446315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).