[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone

C15H14FN3O3 — CID 110146581

IUPAC[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1
InChIInChI=1S/C15H14FN3O3/c16-10-2-1-3-11(6-10)22-14-8-19(7-13(14)20)15(21)12-4-5-17-9-18-12/h1-6,9,13-14,20H,7-8H2/t13-,14-/m1/s1
InChIKeySUFIAEIZCDLVTC-ZIAGYGMSSA-N
MW303.29 g/mol
LogP0.88
Rot. Bonds3

About [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone

[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 110146581) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID110146581
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1
InChIInChI=1S/C15H14FN3O3/c16-10-2-1-3-11(6-10)22-14-8-19(7-13(14)20)15(21)12-4-5-17-9-18-12/h1-6,9,13-14,20H,7-8H2/t13-,14-/m1/s1
InChIKeySUFIAEIZCDLVTC-ZIAGYGMSSA-N
XLogP0.88
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110146828
(5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone
CID 110147202
1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone
CID 110146632
[(3aS,4S,6aR)-4-(3-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyridin-2-ylmethanone
CID 110109802
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110147125
[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110145191
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 110146883
3-[(3R,4R)-4-hydroxy-1-(3-methylpyridine-2-carbonyl)pyrrolidin-3-yl]oxybenzoic acid
CID 110146812
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 110159437
[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]-pyridin-4-ylmethanone
CID 110145957
3-[(3R,4R)-4-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-3-yl]oxybenzoic acid
CID 110146718

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone (CID 110146581) is [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1.
What is the InChIKey of [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is SUFIAEIZCDLVTC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-10-2-1-3-11(6-10)22-14-8-19(7-13(14)20)15(21)12-4-5-17-9-18-12/h1-6,9,13-14,20H,7-8H2/t13-,14-/m1/s1.
What are the key properties of [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone?
[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 303.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 110146581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).