2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

C15H18N6O2 — CID 110270549

IUPAC2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC1c1nccnc1Nc1ncccn1
InChIInChI=1S/C15H18N6O2/c1-23-10-12(22)21-9-2-4-11(21)13-14(17-8-7-16-13)20-15-18-5-3-6-19-15/h3,5-8,11H,2,4,9-10H2,1H3,(H,17,18,19,20)
InChIKeySJOKYOZLXBNERN-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.32
Rot. Bonds5

About 2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110270549) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID110270549
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC1c1nccnc1Nc1ncccn1
InChIInChI=1S/C15H18N6O2/c1-23-10-12(22)21-9-2-4-11(21)13-14(17-8-7-16-13)20-15-18-5-3-6-19-15/h3,5-8,11H,2,4,9-10H2,1H3,(H,17,18,19,20)
InChIKeySJOKYOZLXBNERN-UHFFFAOYSA-N
XLogP1.32
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (CID 110270549) is 2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is COCC(=O)N1CCCC1c1nccnc1Nc1ncccn1.
What is the InChIKey of 2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is SJOKYOZLXBNERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-23-10-12(22)21-9-2-4-11(21)13-14(17-8-7-16-13)20-15-18-5-3-6-19-15/h3,5-8,11H,2,4,9-10H2,1H3,(H,17,18,19,20).
What are the key properties of 2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 314.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110270549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).