3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione

C12H17N3O2 — CID 4048307

IUPAC3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione
SMILESC=CCn1c(N2CCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O2/c1-3-6-15-10(14-7-4-5-8-14)9-11(16)13(2)12(15)17/h3,9H,1,4-8H2,2H3
InChIKeyWSQZAZHFONZXLU-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.33
Rot. Bonds3

About 3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione

3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione (PubChem CID 4048307) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione
PubChem CID4048307
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione
SMILESC=CCn1c(N2CCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O2/c1-3-6-15-10(14-7-4-5-8-14)9-11(16)13(2)12(15)17/h3,9H,1,4-8H2,2H3
InChIKeyWSQZAZHFONZXLU-UHFFFAOYSA-N
XLogP0.33
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione?
The IUPAC name of 3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione (CID 4048307) is 3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione is C=CCn1c(N2CCCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione?
The InChIKey is WSQZAZHFONZXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-6-15-10(14-7-4-5-8-14)9-11(16)13(2)12(15)17/h3,9H,1,4-8H2,2H3.
What are the key properties of 3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione?
3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione has a molecular weight of 235.29 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-2-enyl-6-pyrrolidin-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 4048307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).