(3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone

C15H13F3N4O2 — CID 122243290

IUPAC(3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCC(Oc2ncccn2)C1
InChIInChI=1S/C15H13F3N4O2/c16-15(17,18)12-3-2-10(8-21-12)13(23)22-7-4-11(9-22)24-14-19-5-1-6-20-14/h1-3,5-6,8,11H,4,7,9H2
InChIKeyINXXVHJKFGZWKZ-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.18
Rot. Bonds3

About (3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone

(3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 122243290) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is (3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID122243290
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name(3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCC(Oc2ncccn2)C1
InChIInChI=1S/C15H13F3N4O2/c16-15(17,18)12-3-2-10(8-21-12)13(23)22-7-4-11(9-22)24-14-19-5-1-6-20-14/h1-3,5-6,8,11H,4,7,9H2
InChIKeyINXXVHJKFGZWKZ-UHFFFAOYSA-N
XLogP2.18
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 124728047
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
(6-ethoxy-3-pyridinyl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267643
[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 119100397
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129491148
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263
cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243258
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789

Frequently Asked Questions

What is the IUPAC name of (3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 122243290) is (3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Oc2ncccn2)C1.
What is the InChIKey of (3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is INXXVHJKFGZWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c16-15(17,18)12-3-2-10(8-21-12)13(23)22-7-4-11(9-22)24-14-19-5-1-6-20-14/h1-3,5-6,8,11H,4,7,9H2.
What are the key properties of (3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
(3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 338.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 122243290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).