amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium

C8H15N4O2+ — CID 20676015

IUPACamino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium
SMILESCc1cn(C[N+](C)(C)N)c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-6-4-11(5-12(2,3)9)8(14)10-7(6)13/h4H,5,9H2,1-3H3/p+1
InChIKeyGUQMOMDRNOLAFU-UHFFFAOYSA-O
MW199.23 g/mol
LogP-1.25
Rot. Bonds2

About amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium

amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium (PubChem CID 20676015) has the molecular formula C8H15N4O2+ and a molecular weight of 199.23 g/mol. Its IUPAC name is amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium.

Molecular Properties

Compound Nameamino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium
PubChem CID20676015
Molecular FormulaC8H15N4O2+
Molecular Weight199.23 g/mol
Exact Mass199.12
IUPAC Nameamino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium
SMILESCc1cn(C[N+](C)(C)N)c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-6-4-11(5-12(2,3)9)8(14)10-7(6)13/h4H,5,9H2,1-3H3/p+1
InChIKeyGUQMOMDRNOLAFU-UHFFFAOYSA-O
XLogP-1.25
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
1-[(E)-but-2-enyl]-5-methylpyrimidine-2,4-dione
CID 65438358
5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
CID 20727875
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
[(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium
CID 7289782
1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
CID 59337581
N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide
CID 102374659
N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide
CID 102250967
1-(2-ethenoxyethyl)-5-methylpyrimidine-2,4-dione
CID 71327942
ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate
CID 101070065
2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]isoindole-1,3-dione
CID 11109334
1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione
CID 163296260

Frequently Asked Questions

What is the IUPAC name of amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium?
The IUPAC name of amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium (CID 20676015) is amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium.
What is the SMILES notation for amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium?
The canonical SMILES for amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium is Cc1cn(C[N+](C)(C)N)c(=O)[nH]c1=O.
What is the InChIKey of amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium?
The InChIKey is GUQMOMDRNOLAFU-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N4O2/c1-6-4-11(5-12(2,3)9)8(14)10-7(6)13/h4H,5,9H2,1-3H3/p+1.
What are the key properties of amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium?
amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium has a molecular weight of 199.23 g/mol, XLogP of -1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium is sourced from PubChem (CID 20676015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).