[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone

C13H12FN5O2 — CID 119100402

IUPAC[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H12FN5O2/c14-9-5-17-13(18-6-9)21-10-1-4-19(8-10)12(20)11-7-15-2-3-16-11/h2-3,5-7,10H,1,4,8H2
InChIKeyLRKHUNCCQBVXJQ-UHFFFAOYSA-N
MW289.27 g/mol
LogP0.70
Rot. Bonds3

About [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone

[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 119100402) has the molecular formula C13H12FN5O2 and a molecular weight of 289.27 g/mol. Its IUPAC name is [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID119100402
Molecular FormulaC13H12FN5O2
Molecular Weight289.27 g/mol
Exact Mass289.10
IUPAC Name[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H12FN5O2/c14-9-5-17-13(18-6-9)21-10-1-4-19(8-10)12(20)11-7-15-2-3-16-11/h2-3,5-7,10H,1,4,8H2
InChIKeyLRKHUNCCQBVXJQ-UHFFFAOYSA-N
XLogP0.70
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 119100402) is [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is LRKHUNCCQBVXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O2/c14-9-5-17-13(18-6-9)21-10-1-4-19(8-10)12(20)11-7-15-2-3-16-11/h2-3,5-7,10H,1,4,8H2.
What are the key properties of [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 289.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 119100402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).