6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one

C8H7N3O2 — CID 82410633

IUPAC6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one
SMILESNc1cc(-c2ccnc(=O)[nH]2)co1
InChIInChI=1S/C8H7N3O2/c9-7-3-5(4-13-7)6-1-2-10-8(12)11-6/h1-4H,9H2,(H,10,11,12)
InChIKeyZEQORWGSOIBAOL-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.61
Rot. Bonds1

About 6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one

6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one (PubChem CID 82410633) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one
PubChem CID82410633
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one
SMILESNc1cc(-c2ccnc(=O)[nH]2)co1
InChIInChI=1S/C8H7N3O2/c9-7-3-5(4-13-7)6-1-2-10-8(12)11-6/h1-4H,9H2,(H,10,11,12)
InChIKeyZEQORWGSOIBAOL-UHFFFAOYSA-N
XLogP0.61
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one (CID 82410633) is 6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one is Nc1cc(-c2ccnc(=O)[nH]2)co1.
What is the InChIKey of 6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one?
The InChIKey is ZEQORWGSOIBAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-7-3-5(4-13-7)6-1-2-10-8(12)11-6/h1-4H,9H2,(H,10,11,12).
What are the key properties of 6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one?
6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one has a molecular weight of 177.16 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-aminofuran-3-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 82410633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).