4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine

C15H15F3N4O — CID 18357120

IUPAC4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)ncn1
InChIInChI=1S/C15H15F3N4O/c1-10-6-13(21-9-20-10)22-5-4-12(8-22)23-14-3-2-11(7-19-14)15(16,17)18/h2-3,6-7,9,12H,4-5,8H2,1H3
InChIKeyWEJHCKPAMMMPBJ-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.86
Rot. Bonds3

About 4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine

4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine (PubChem CID 18357120) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
PubChem CID18357120
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)ncn1
InChIInChI=1S/C15H15F3N4O/c1-10-6-13(21-9-20-10)22-5-4-12(8-22)23-14-3-2-11(7-19-14)15(16,17)18/h2-3,6-7,9,12H,4-5,8H2,1H3
InChIKeyWEJHCKPAMMMPBJ-UHFFFAOYSA-N
XLogP2.86
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine (CID 18357120) is 4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine is Cc1cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)ncn1.
What is the InChIKey of 4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine?
The InChIKey is WEJHCKPAMMMPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-10-6-13(21-9-20-10)22-5-4-12(8-22)23-14-3-2-11(7-19-14)15(16,17)18/h2-3,6-7,9,12H,4-5,8H2,1H3.
What are the key properties of 4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine?
4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine has a molecular weight of 324.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 18357120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).