1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione

C12H9N5O3 — CID 175428899

IUPAC1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(N=Cc2ccc(-c3ncccn3)o2)C(=O)N1
InChIInChI=1S/C12H9N5O3/c18-10-7-17(12(19)16-10)15-6-8-2-3-9(20-8)11-13-4-1-5-14-11/h1-6H,7H2,(H,16,18,19)
InChIKeyULNAQVPFPQGXNW-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.62
Rot. Bonds3

About 1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione

1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 175428899) has the molecular formula C12H9N5O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione
PubChem CID175428899
Molecular FormulaC12H9N5O3
Molecular Weight271.24 g/mol
Exact Mass271.07
IUPAC Name1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione
SMILESO=C1CN(N=Cc2ccc(-c3ncccn3)o2)C(=O)N1
InChIInChI=1S/C12H9N5O3/c18-10-7-17(12(19)16-10)15-6-8-2-3-9(20-8)11-13-4-1-5-14-11/h1-6H,7H2,(H,16,18,19)
InChIKeyULNAQVPFPQGXNW-UHFFFAOYSA-N
XLogP0.62
TPSA100.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione (CID 175428899) is 1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione is O=C1CN(N=Cc2ccc(-c3ncccn3)o2)C(=O)N1.
What is the InChIKey of 1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is ULNAQVPFPQGXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O3/c18-10-7-17(12(19)16-10)15-6-8-2-3-9(20-8)11-13-4-1-5-14-11/h1-6H,7H2,(H,16,18,19).
What are the key properties of 1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione?
1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 271.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-pyrimidin-2-ylfuran-2-yl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 175428899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).