trimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium

C8H14N3O2+ — CID 123192138

IUPACtrimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium
SMILESCn1c(=O)ccn([N+](C)(C)C)c1=O
InChIInChI=1S/C8H14N3O2/c1-9-7(12)5-6-10(8(9)13)11(2,3)4/h5-6H,1-4H3/q+1
InChIKeyQOLKIYBRPFRDTG-UHFFFAOYSA-N
MW184.22 g/mol
LogP-1.12
Rot. Bonds1

About trimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium

trimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium (PubChem CID 123192138) has the molecular formula C8H14N3O2+ and a molecular weight of 184.22 g/mol. Its IUPAC name is trimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium.

Molecular Properties

Compound Nametrimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium
PubChem CID123192138
Molecular FormulaC8H14N3O2+
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Nametrimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium
SMILESCn1c(=O)ccn([N+](C)(C)C)c1=O
InChIInChI=1S/C8H14N3O2/c1-9-7(12)5-6-10(8(9)13)11(2,3)4/h5-6H,1-4H3/q+1
InChIKeyQOLKIYBRPFRDTG-UHFFFAOYSA-N
XLogP-1.12
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium?
The IUPAC name of trimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium (CID 123192138) is trimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium.
What is the SMILES notation for trimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium?
The canonical SMILES for trimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium is Cn1c(=O)ccn([N+](C)(C)C)c1=O.
What is the InChIKey of trimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium?
The InChIKey is QOLKIYBRPFRDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N3O2/c1-9-7(12)5-6-10(8(9)13)11(2,3)4/h5-6H,1-4H3/q+1.
What are the key properties of trimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium?
trimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium has a molecular weight of 184.22 g/mol, XLogP of -1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(3-methyl-2,4-dioxopyrimidin-1-yl)azanium is sourced from PubChem (CID 123192138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).