5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine

C15H15F3N4O2 — CID 163348273

IUPAC5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
SMILESCOc1cnc(OC2CCN(c3ccc(C(F)(F)F)nc3)C2)nc1
InChIInChI=1S/C15H15F3N4O2/c1-23-12-7-20-14(21-8-12)24-11-4-5-22(9-11)10-2-3-13(19-6-10)15(16,17)18/h2-3,6-8,11H,4-5,9H2,1H3
InChIKeyADTALCYVLVBXJG-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.56
Rot. Bonds4

About 5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine

5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine (PubChem CID 163348273) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
PubChem CID163348273
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
SMILESCOc1cnc(OC2CCN(c3ccc(C(F)(F)F)nc3)C2)nc1
InChIInChI=1S/C15H15F3N4O2/c1-23-12-7-20-14(21-8-12)24-11-4-5-22(9-11)10-2-3-13(19-6-10)15(16,17)18/h2-3,6-8,11H,4-5,9H2,1H3
InChIKeyADTALCYVLVBXJG-UHFFFAOYSA-N
XLogP2.56
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
CID 163345898
2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345881
2-[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345883
2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163348119
3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 163345938
[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol
CID 169180430
6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine
CID 163348498
[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol
CID 169180436
6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline
CID 163349464
5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 154581921
2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701024
2-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701732

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine?
The IUPAC name of 5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine (CID 163348273) is 5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine is COc1cnc(OC2CCN(c3ccc(C(F)(F)F)nc3)C2)nc1.
What is the InChIKey of 5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine?
The InChIKey is ADTALCYVLVBXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-23-12-7-20-14(21-8-12)24-11-4-5-22(9-11)10-2-3-13(19-6-10)15(16,17)18/h2-3,6-8,11H,4-5,9H2,1H3.
What are the key properties of 5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine?
5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine has a molecular weight of 340.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine is sourced from PubChem (CID 163348273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).