3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione

C11H15N3O2 — CID 3267352

IUPAC3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione
SMILESC=CCNc1cc(=O)n(C)c(=O)n1CC=C
InChIInChI=1S/C11H15N3O2/c1-4-6-12-9-8-10(15)13(3)11(16)14(9)7-5-2/h4-5,8,12H,1-2,6-7H2,3H3
InChIKeyOCSJVZRNJRSKRX-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.33
Rot. Bonds5

About 3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione

3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione (PubChem CID 3267352) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione
PubChem CID3267352
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione
SMILESC=CCNc1cc(=O)n(C)c(=O)n1CC=C
InChIInChI=1S/C11H15N3O2/c1-4-6-12-9-8-10(15)13(3)11(16)14(9)7-5-2/h4-5,8,12H,1-2,6-7H2,3H3
InChIKeyOCSJVZRNJRSKRX-UHFFFAOYSA-N
XLogP0.33
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)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 3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione (CID 3267352) is 3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione is C=CCNc1cc(=O)n(C)c(=O)n1CC=C.
What is the InChIKey of 3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione?
The InChIKey is OCSJVZRNJRSKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-4-6-12-9-8-10(15)13(3)11(16)14(9)7-5-2/h4-5,8,12H,1-2,6-7H2,3H3.
What are the key properties of 3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione?
3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione has a molecular weight of 221.26 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 3267352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).