8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide

C7H12IN3O — CID 44888611

IUPAC8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide
SMILESC[N+]1=C2NCCN2C(=O)CC1.[I-]
InChIInChI=1S/C7H11N3O.HI/c1-9-4-2-6(11)10-5-3-8-7(9)10;/h2-5H2,1H3;1H
InChIKeyQLPPDRSTXKLIDU-UHFFFAOYSA-N
MW281.10 g/mol
LogP-4.18
Rot. Bonds

About 8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide

8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide (PubChem CID 44888611) has the molecular formula C7H12IN3O and a molecular weight of 281.10 g/mol. Its IUPAC name is 8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide.

Molecular Properties

Compound Name8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide
PubChem CID44888611
Molecular FormulaC7H12IN3O
Molecular Weight281.10 g/mol
Exact Mass281.00
IUPAC Name8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide
SMILESC[N+]1=C2NCCN2C(=O)CC1.[I-]
InChIInChI=1S/C7H11N3O.HI/c1-9-4-2-6(11)10-5-3-8-7(9)10;/h2-5H2,1H3;1H
InChIKeyQLPPDRSTXKLIDU-UHFFFAOYSA-N
XLogP-4.18
TPSA35.35 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 5-4.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide 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 8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide?
The IUPAC name of 8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide (CID 44888611) is 8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide.
What is the SMILES notation for 8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide?
The canonical SMILES for 8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide is C[N+]1=C2NCCN2C(=O)CC1.[I-].
What is the InChIKey of 8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide?
The InChIKey is QLPPDRSTXKLIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.HI/c1-9-4-2-6(11)10-5-3-8-7(9)10;/h2-5H2,1H3;1H.
What are the key properties of 8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide?
8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide has a molecular weight of 281.10 g/mol, XLogP of -4.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-8-ium-5-one iodide is sourced from PubChem (CID 44888611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).