6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione

C9H7N3O3 — CID 23880792

IUPAC6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N=Cc2ccoc2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H7N3O3/c13-8-3-7(11-9(14)12-8)10-4-6-1-2-15-5-6/h1-5H,(H2,11,12,13,14)
InChIKeyXHMORKOECUXOFP-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.41
Rot. Bonds2

About 6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione

6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione (PubChem CID 23880792) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione
PubChem CID23880792
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N=Cc2ccoc2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H7N3O3/c13-8-3-7(11-9(14)12-8)10-4-6-1-2-15-5-6/h1-5H,(H2,11,12,13,14)
InChIKeyXHMORKOECUXOFP-UHFFFAOYSA-N
XLogP0.41
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan;1H-pyrimidine-2,4-dione
CID 69571627
1-Fluoropyrimidine-2,4-dione;furan
CID 87268948
6-amino-1H-pyrimidin-2-one;furan
CID 174496727
2-amino-5-(furan-3-ylmethylideneamino)-4-hydroxy-1H-pyrimidin-6-one
CID 23875619

Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione (CID 23880792) is 6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione is O=c1cc(N=Cc2ccoc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione?
The InChIKey is XHMORKOECUXOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-8-3-7(11-9(14)12-8)10-4-6-1-2-15-5-6/h1-5H,(H2,11,12,13,14).
What are the key properties of 6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione?
6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione has a molecular weight of 205.17 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-ylmethylideneamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23880792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).