1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione

C12H12N4O3 — CID 71805766

IUPAC1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1Cc2cncnc2C1
InChIInChI=1S/C12H12N4O3/c17-10-1-2-11(18)16(10)6-12(19)15-4-8-3-13-7-14-9(8)5-15/h3,7H,1-2,4-6H2
InChIKeyMAOPEOYJJAKQLY-UHFFFAOYSA-N
MW260.25 g/mol
LogP-0.53
Rot. Bonds2

About 1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 71805766) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID71805766
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1Cc2cncnc2C1
InChIInChI=1S/C12H12N4O3/c17-10-1-2-11(18)16(10)6-12(19)15-4-8-3-13-7-14-9(8)5-15/h3,7H,1-2,4-6H2
InChIKeyMAOPEOYJJAKQLY-UHFFFAOYSA-N
XLogP-0.53
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione (CID 71805766) is 1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)N1Cc2cncnc2C1.
What is the InChIKey of 1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is MAOPEOYJJAKQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-10-1-2-11(18)16(10)6-12(19)15-4-8-3-13-7-14-9(8)5-15/h3,7H,1-2,4-6H2.
What are the key properties of 1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 260.25 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 71805766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).