4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one

C8H7N3O2 — CID 135581712

IUPAC4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(-c2ccco2)n1
InChIInChI=1S/C8H7N3O2/c9-6-4-7(12)11-8(10-6)5-2-1-3-13-5/h1-4H,(H3,9,10,11,12)
InChIKeyHEHNLOYMBNTESC-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.61
Rot. Bonds1

About 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one

4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one (PubChem CID 135581712) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one
PubChem CID135581712
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(-c2ccco2)n1
InChIInChI=1S/C8H7N3O2/c9-6-4-7(12)11-8(10-6)5-2-1-3-13-5/h1-4H,(H3,9,10,11,12)
InChIKeyHEHNLOYMBNTESC-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

Analyze 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one (CID 135581712) is 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(-c2ccco2)n1.
What is the InChIKey of 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is HEHNLOYMBNTESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-6-4-7(12)11-8(10-6)5-2-1-3-13-5/h1-4H,(H3,9,10,11,12).
What are the key properties of 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one?
4-amino-2-(furan-2-yl)-1H-pyrimidin-6-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 4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135581712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).