6-(prop-2-enylamino)-1H-pyrimidine-2,4-dione

C7H9N3O2 — CID 10797158

IUPAC6-(prop-2-enylamino)-1H-pyrimidine-2,4-dione
SMILESC=CCNc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H9N3O2/c1-2-3-8-5-4-6(11)10-7(12)9-5/h2,4H,1,3H2,(H3,8,9,10,11,12)
InChIKeyJEBCEODODJJXLY-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.34
Rot. Bonds3

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

6-(prop-2-enylamino)-1H-pyrimidine-2,4-dione (PubChem CID 10797158) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 6-(prop-2-enylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(prop-2-enylamino)-1H-pyrimidine-2,4-dione
PubChem CID10797158
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name6-(prop-2-enylamino)-1H-pyrimidine-2,4-dione
SMILESC=CCNc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H9N3O2/c1-2-3-8-5-4-6(11)10-7(12)9-5/h2,4H,1,3H2,(H3,8,9,10,11,12)
InChIKeyJEBCEODODJJXLY-UHFFFAOYSA-N
XLogP-0.34
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(prop-2-enylamino)-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

Frequently Asked Questions

What is the IUPAC name of 6-(prop-2-enylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(prop-2-enylamino)-1H-pyrimidine-2,4-dione (CID 10797158) is 6-(prop-2-enylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(prop-2-enylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(prop-2-enylamino)-1H-pyrimidine-2,4-dione is C=CCNc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(prop-2-enylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is JEBCEODODJJXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-3-8-5-4-6(11)10-7(12)9-5/h2,4H,1,3H2,(H3,8,9,10,11,12).
What are the key properties of 6-(prop-2-enylamino)-1H-pyrimidine-2,4-dione?
6-(prop-2-enylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 167.17 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(prop-2-enylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10797158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).