5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione

C8H10N3O2+ — CID 12778105

IUPAC5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione
SMILESCc1n(C)c(=O)cc2[n+]1CC(=O)N2
InChIInChI=1S/C8H9N3O2/c1-5-10(2)8(13)3-6-9-7(12)4-11(5)6/h3H,4H2,1-2H3/p+1
InChIKeyPACKHOZRQLKNLD-UHFFFAOYSA-O
MW180.19 g/mol
LogP-1.07
Rot. Bonds

About 5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione

5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione (PubChem CID 12778105) has the molecular formula C8H10N3O2+ and a molecular weight of 180.19 g/mol. Its IUPAC name is 5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione.

Molecular Properties

Compound Name5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione
PubChem CID12778105
Molecular FormulaC8H10N3O2+
Molecular Weight180.19 g/mol
Exact Mass180.08
IUPAC Name5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione
SMILESCc1n(C)c(=O)cc2[n+]1CC(=O)N2
InChIInChI=1S/C8H9N3O2/c1-5-10(2)8(13)3-6-9-7(12)4-11(5)6/h3H,4H2,1-2H3/p+1
InChIKeyPACKHOZRQLKNLD-UHFFFAOYSA-O
XLogP-1.07
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Imidazo[1,2-A]pyrimidine-2,5(1H,3H)-dione
CID 49874686
Imidazolo[1,2-a]pyrimidine-2,5(1H,3H)-dione, 3,7-dimethyl-
CID 601653
1,3-Dihydroimidazo[1,2-c]pyrimidine-2,7-dione
CID 70453266
6-Methyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione
CID 12778129
5-Methyl-1,3-dihydroimidazo[1,2-c]pyrimidine-2,7-dione
CID 12778132
N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 114581613
6-Chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
CID 114581849
7-Methylimidazo[1,2-a]pyrimidine-2,5(1H,3H)-dione
CID 136251850
N,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136557611
2-[ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136713547
N-ethyl-N-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136870163
2-Butylimino-7-methyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 136908250

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione?
The IUPAC name of 5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione (CID 12778105) is 5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione.
What is the SMILES notation for 5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione?
The canonical SMILES for 5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione is Cc1n(C)c(=O)cc2[n+]1CC(=O)N2.
What is the InChIKey of 5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione?
The InChIKey is PACKHOZRQLKNLD-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9N3O2/c1-5-10(2)8(13)3-6-9-7(12)4-11(5)6/h3H,4H2,1-2H3/p+1.
What are the key properties of 5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione?
5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione has a molecular weight of 180.19 g/mol, XLogP of -1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,3-dihydroimidazo[1,2-c]pyrimidin-4-ium-2,7-dione is sourced from PubChem (CID 12778105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).