2-(aminomethyl)-1H-pyrimidine-4,6-dione

C5H7N3O2 — CID 79501835

IUPAC2-(aminomethyl)-1H-pyrimidine-4,6-dione
SMILESNCC1=NC(=O)CC(=O)N1
InChIInChI=1S/C5H7N3O2/c6-2-3-7-4(9)1-5(10)8-3/h1-2,6H2,(H,7,8,9,10)
InChIKeyGXFIYNTXBRBXDH-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.61
Rot. Bonds1

About 2-(aminomethyl)-1H-pyrimidine-4,6-dione

2-(aminomethyl)-1H-pyrimidine-4,6-dione (PubChem CID 79501835) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-(aminomethyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(aminomethyl)-1H-pyrimidine-4,6-dione
PubChem CID79501835
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-(aminomethyl)-1H-pyrimidine-4,6-dione
SMILESNCC1=NC(=O)CC(=O)N1
InChIInChI=1S/C5H7N3O2/c6-2-3-7-4(9)1-5(10)8-3/h1-2,6H2,(H,7,8,9,10)
InChIKeyGXFIYNTXBRBXDH-UHFFFAOYSA-N
XLogP-1.61
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-1H-pyrimidine-4,6-dione 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 2-(aminomethyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(aminomethyl)-1H-pyrimidine-4,6-dione (CID 79501835) is 2-(aminomethyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(aminomethyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(aminomethyl)-1H-pyrimidine-4,6-dione is NCC1=NC(=O)CC(=O)N1.
What is the InChIKey of 2-(aminomethyl)-1H-pyrimidine-4,6-dione?
The InChIKey is GXFIYNTXBRBXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-2-3-7-4(9)1-5(10)8-3/h1-2,6H2,(H,7,8,9,10).
What are the key properties of 2-(aminomethyl)-1H-pyrimidine-4,6-dione?
2-(aminomethyl)-1H-pyrimidine-4,6-dione has a molecular weight of 141.13 g/mol, XLogP of -1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79501835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).