5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione

C15H19N5O3 — CID 136562254

IUPAC5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione
SMILESCc1cc(=O)nc2n(CCCN3C(=O)NC(C)(C)C3=O)ccn12
InChIInChI=1S/C15H19N5O3/c1-10-9-11(21)16-13-18(7-8-19(10)13)5-4-6-20-12(22)15(2,3)17-14(20)23/h7-9H,4-6H2,1-3H3,(H,17,23)
InChIKeyVUDMXVGHPKEQGN-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.52
Rot. Bonds4

About 5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione (PubChem CID 136562254) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione
PubChem CID136562254
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione
SMILESCc1cc(=O)nc2n(CCCN3C(=O)NC(C)(C)C3=O)ccn12
InChIInChI=1S/C15H19N5O3/c1-10-9-11(21)16-13-18(7-8-19(10)13)5-4-6-20-12(22)15(2,3)17-14(20)23/h7-9H,4-6H2,1-3H3,(H,17,23)
InChIKeyVUDMXVGHPKEQGN-UHFFFAOYSA-N
XLogP0.52
TPSA88.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-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 5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione (CID 136562254) is 5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione is Cc1cc(=O)nc2n(CCCN3C(=O)NC(C)(C)C3=O)ccn12.
What is the InChIKey of 5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is VUDMXVGHPKEQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10-9-11(21)16-13-18(7-8-19(10)13)5-4-6-20-12(22)15(2,3)17-14(20)23/h7-9H,4-6H2,1-3H3,(H,17,23).
What are the key properties of 5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 317.35 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[3-(5-methyl-7-oxoimidazo[1,2-a]pyrimidin-1-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 136562254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).