5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione

C10H11N5O2 — CID 143989617

IUPAC5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione
SMILESCN1C(C2NC(=O)NC2=O)=CN2C=CC=NC21
InChIInChI=1S/C10H11N5O2/c1-14-6(7-8(16)13-9(17)12-7)5-15-4-2-3-11-10(14)15/h2-5,7,10H,1H3,(H2,12,13,16,17)
InChIKeyQEQCRXLSWUPNDC-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.84
Rot. Bonds1

About 5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione

5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione (PubChem CID 143989617) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione
PubChem CID143989617
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione
SMILESCN1C(C2NC(=O)NC2=O)=CN2C=CC=NC21
InChIInChI=1S/C10H11N5O2/c1-14-6(7-8(16)13-9(17)12-7)5-15-4-2-3-11-10(14)15/h2-5,7,10H,1H3,(H2,12,13,16,17)
InChIKeyQEQCRXLSWUPNDC-UHFFFAOYSA-N
XLogP-0.84
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione
CID 70443218
5-[(Z)-1-amino-2-(prop-2-enylideneamino)ethenyl]imidazolidine-2,4-dione
CID 89344276
N-methyl-1,2,3,5-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
CID 143707543

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione (CID 143989617) is 5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione is CN1C(C2NC(=O)NC2=O)=CN2C=CC=NC21.
What is the InChIKey of 5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione?
The InChIKey is QEQCRXLSWUPNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-14-6(7-8(16)13-9(17)12-7)5-15-4-2-3-11-10(14)15/h2-5,7,10H,1H3,(H2,12,13,16,17).
What are the key properties of 5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione?
5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione has a molecular weight of 233.23 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-8aH-imidazo[1,2-a]pyrimidin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 143989617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).