(3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone

C13H13N5O2 — CID 91626701

IUPAC(3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C13H13N5O2/c19-13(12-16-3-1-4-17-12)18-7-2-10(9-18)20-11-8-14-5-6-15-11/h1,3-6,8,10H,2,7,9H2
InChIKeyXPAPVJRHBOIBMM-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.56
Rot. Bonds3

About (3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone

(3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone (PubChem CID 91626701) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is (3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone
PubChem CID91626701
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name(3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C13H13N5O2/c19-13(12-16-3-1-4-17-12)18-7-2-10(9-18)20-11-8-14-5-6-15-11/h1,3-6,8,10H,2,7,9H2
InChIKeyXPAPVJRHBOIBMM-UHFFFAOYSA-N
XLogP0.56
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone?
The IUPAC name of (3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone (CID 91626701) is (3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone is O=C(c1ncccn1)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of (3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone?
The InChIKey is XPAPVJRHBOIBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c19-13(12-16-3-1-4-17-12)18-7-2-10(9-18)20-11-8-14-5-6-15-11/h1,3-6,8,10H,2,7,9H2.
What are the key properties of (3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone?
(3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone has a molecular weight of 271.28 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrazin-2-yloxypyrrolidin-1-yl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 91626701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).