1-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione

C16H7N5O6 — CID 141169953

IUPAC1-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cc(N2C(=O)C=CC2=O)nc(N2C(=O)C=CC2=O)n1
InChIInChI=1S/C16H7N5O6/c22-10-1-2-11(23)19(10)8-7-9(20-12(24)3-4-13(20)25)18-16(17-8)21-14(26)5-6-15(21)27/h1-7H
InChIKeyGBAFBTMMICQLQL-UHFFFAOYSA-N
MW365.26 g/mol
LogP-1.24
Rot. Bonds3

About 1-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione

1-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione (PubChem CID 141169953) has the molecular formula C16H7N5O6 and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione
PubChem CID141169953
Molecular FormulaC16H7N5O6
Molecular Weight365.26 g/mol
Exact Mass365.04
IUPAC Name1-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cc(N2C(=O)C=CC2=O)nc(N2C(=O)C=CC2=O)n1
InChIInChI=1S/C16H7N5O6/c22-10-1-2-11(23)19(10)8-7-9(20-12(24)3-4-13(20)25)18-16(17-8)21-14(26)5-6-15(21)27/h1-7H
InChIKeyGBAFBTMMICQLQL-UHFFFAOYSA-N
XLogP-1.24
TPSA137.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione (CID 141169953) is 1-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1cc(N2C(=O)C=CC2=O)nc(N2C(=O)C=CC2=O)n1.
What is the InChIKey of 1-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione?
The InChIKey is GBAFBTMMICQLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7N5O6/c22-10-1-2-11(23)19(10)8-7-9(20-12(24)3-4-13(20)25)18-16(17-8)21-14(26)5-6-15(21)27/h1-7H.
What are the key properties of 1-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione?
1-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione has a molecular weight of 365.26 g/mol, XLogP of -1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(2,5-dioxopyrrol-1-yl)pyrimidin-4-yl]pyrrole-2,5-dione is sourced from PubChem (CID 141169953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).