[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone

C14H13FN4O2 — CID 129491148

IUPAC[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CC[C@@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C14H13FN4O2/c15-11-7-17-14(18-8-11)21-12-3-6-19(9-12)13(20)10-1-4-16-5-2-10/h1-2,4-5,7-8,12H,3,6,9H2/t12-/m1/s1
InChIKeyRRBLAMLUXCRUBH-GFCCVEGCSA-N
MW288.28 g/mol
LogP1.30
Rot. Bonds3

About [(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone

[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 129491148) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is [(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID129491148
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CC[C@@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C14H13FN4O2/c15-11-7-17-14(18-8-11)21-12-3-6-19(9-12)13(20)10-1-4-16-5-2-10/h1-2,4-5,7-8,12H,3,6,9H2/t12-/m1/s1
InChIKeyRRBLAMLUXCRUBH-GFCCVEGCSA-N
XLogP1.30
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 119100397
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258424
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone
CID 122258311
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
cyclobutyl-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129491136
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129355694
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122160225
[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 139027232
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 122258532
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 119100531

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 129491148) is [(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CC[C@@H](Oc2ncc(F)cn2)C1.
What is the InChIKey of [(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is RRBLAMLUXCRUBH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13FN4O2/c15-11-7-17-14(18-8-11)21-12-3-6-19(9-12)13(20)10-1-4-16-5-2-10/h1-2,4-5,7-8,12H,3,6,9H2/t12-/m1/s1.
What are the key properties of [(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 288.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 129491148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).