2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide

C6H10IN3O — CID 13492735

IUPAC2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide
SMILESI.O=C1CCN=C2NCCN12
InChIInChI=1S/C6H9N3O.HI/c10-5-1-2-7-6-8-3-4-9(5)6;/h1-4H2,(H,7,8);1H
InChIKeyMTSPKCRHDGSOSC-UHFFFAOYSA-N
MW267.07 g/mol
LogP-0.20
Rot. Bonds

About 2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide

2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide (PubChem CID 13492735) has the molecular formula C6H10IN3O and a molecular weight of 267.07 g/mol. Its IUPAC name is 2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide.

Molecular Properties

Compound Name2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide
PubChem CID13492735
Molecular FormulaC6H10IN3O
Molecular Weight267.07 g/mol
Exact Mass266.99
IUPAC Name2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide
SMILESI.O=C1CCN=C2NCCN12
InChIInChI=1S/C6H9N3O.HI/c10-5-1-2-7-6-8-3-4-9(5)6;/h1-4H2,(H,7,8);1H
InChIKeyMTSPKCRHDGSOSC-UHFFFAOYSA-N
XLogP-0.20
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
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 2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide?
The IUPAC name of 2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide (CID 13492735) is 2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide.
What is the SMILES notation for 2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide?
The canonical SMILES for 2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide is I.O=C1CCN=C2NCCN12.
What is the InChIKey of 2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide?
The InChIKey is MTSPKCRHDGSOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.HI/c10-5-1-2-7-6-8-3-4-9(5)6;/h1-4H2,(H,7,8);1H.
What are the key properties of 2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide?
2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide has a molecular weight of 267.07 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyrimidin-5-one;hydroiodide is sourced from PubChem (CID 13492735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).