8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide

C7H12IN3O — CID 13492731

IUPAC8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide
SMILESCN1CCC(=O)N2CCN=C12.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
LogP0.14
Rot. Bonds

About 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide

8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide (PubChem CID 13492731) has the molecular formula C7H12IN3O and a molecular weight of 281.10 g/mol. Its IUPAC name is 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide.

Molecular Properties

Compound Name8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide
PubChem CID13492731
Molecular FormulaC7H12IN3O
Molecular Weight281.10 g/mol
Exact Mass281.00
IUPAC Name8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide
SMILESCN1CCC(=O)N2CCN=C12.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
XLogP0.14
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide?
The IUPAC name of 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide (CID 13492731) is 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide.
What is the SMILES notation for 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide?
The canonical SMILES for 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide is CN1CCC(=O)N2CCN=C12.I.
What is the InChIKey of 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide?
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-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide?
8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide has a molecular weight of 281.10 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide is sourced from PubChem (CID 13492731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).