6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione

C7H8N3O2+ — CID 12778129

IUPAC6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione
SMILESCn1c[n+]2c(cc1=O)NC(=O)C2
InChIInChI=1S/C7H7N3O2/c1-9-4-10-3-6(11)8-5(10)2-7(9)12/h2,4H,3H2,1H3/p+1
InChIKeyKAVIFHCWVCKPSD-UHFFFAOYSA-O
MW166.16 g/mol
LogP-1.38
Rot. Bonds

About 6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione

6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione (PubChem CID 12778129) has the molecular formula C7H8N3O2+ and a molecular weight of 166.16 g/mol. Its IUPAC name is 6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione.

Molecular Properties

Compound Name6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione
PubChem CID12778129
Molecular FormulaC7H8N3O2+
Molecular Weight166.16 g/mol
Exact Mass166.06
IUPAC Name6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione
SMILESCn1c[n+]2c(cc1=O)NC(=O)C2
InChIInChI=1S/C7H7N3O2/c1-9-4-10-3-6(11)8-5(10)2-7(9)12/h2,4H,3H2,1H3/p+1
InChIKeyKAVIFHCWVCKPSD-UHFFFAOYSA-O
XLogP-1.38
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-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 6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione?
The IUPAC name of 6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione (CID 12778129) is 6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione.
What is the SMILES notation for 6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione?
The canonical SMILES for 6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione is Cn1c[n+]2c(cc1=O)NC(=O)C2.
What is the InChIKey of 6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione?
The InChIKey is KAVIFHCWVCKPSD-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7N3O2/c1-9-4-10-3-6(11)8-5(10)2-7(9)12/h2,4H,3H2,1H3/p+1.
What are the key properties of 6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione?
6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione has a molecular weight of 166.16 g/mol, XLogP of -1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione is sourced from PubChem (CID 12778129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).