5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione

C8H7N3O3 — CID 82171064

IUPAC5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione
SMILESNC1C(=O)N=C(c2ccco2)NC1=O
InChIInChI=1S/C8H7N3O3/c9-5-7(12)10-6(11-8(5)13)4-2-1-3-14-4/h1-3,5H,9H2,(H,10,11,12,13)
InChIKeyROHGXAIZFOWXPQ-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.99
Rot. Bonds1

About 5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione

5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione (PubChem CID 82171064) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione
PubChem CID82171064
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione
SMILESNC1C(=O)N=C(c2ccco2)NC1=O
InChIInChI=1S/C8H7N3O3/c9-5-7(12)10-6(11-8(5)13)4-2-1-3-14-4/h1-3,5H,9H2,(H,10,11,12,13)
InChIKeyROHGXAIZFOWXPQ-UHFFFAOYSA-N
XLogP-0.99
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione (CID 82171064) is 5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione is NC1C(=O)N=C(c2ccco2)NC1=O.
What is the InChIKey of 5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione?
The InChIKey is ROHGXAIZFOWXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c9-5-7(12)10-6(11-8(5)13)4-2-1-3-14-4/h1-3,5H,9H2,(H,10,11,12,13).
What are the key properties of 5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione?
5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione has a molecular weight of 193.16 g/mol, XLogP of -0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 82171064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).