[(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium

C10H15N4O4+ — CID 6964602

IUPAC[(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium
SMILESCn1c(/C=C/[NH+](C)C)c([N+](=O)[O-])c(=O)n(C)c1=O
InChIInChI=1S/C10H14N4O4/c1-11(2)6-5-7-8(14(17)18)9(15)13(4)10(16)12(7)3/h5-6H,1-4H3/p+1/b6-5+
InChIKeyRWXJJNUDUCETTI-AATRIKPKSA-O
MW255.25 g/mol
LogP-1.89
Rot. Bonds3

About [(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium

[(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium (PubChem CID 6964602) has the molecular formula C10H15N4O4+ and a molecular weight of 255.25 g/mol. Its IUPAC name is [(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium.

Molecular Properties

Compound Name[(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium
PubChem CID6964602
Molecular FormulaC10H15N4O4+
Molecular Weight255.25 g/mol
Exact Mass255.11
IUPAC Name[(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium
SMILESCn1c(/C=C/[NH+](C)C)c([N+](=O)[O-])c(=O)n(C)c1=O
InChIInChI=1S/C10H14N4O4/c1-11(2)6-5-7-8(14(17)18)9(15)13(4)10(16)12(7)3/h5-6H,1-4H3/p+1/b6-5+
InChIKeyRWXJJNUDUCETTI-AATRIKPKSA-O
XLogP-1.89
TPSA91.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-1.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium?
The IUPAC name of [(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium (CID 6964602) is [(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium.
What is the SMILES notation for [(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium?
The canonical SMILES for [(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium is Cn1c(/C=C/[NH+](C)C)c([N+](=O)[O-])c(=O)n(C)c1=O.
What is the InChIKey of [(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium?
The InChIKey is RWXJJNUDUCETTI-AATRIKPKSA-O. The full InChI is InChI=1S/C10H14N4O4/c1-11(2)6-5-7-8(14(17)18)9(15)13(4)10(16)12(7)3/h5-6H,1-4H3/p+1/b6-5+.
What are the key properties of [(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium?
[(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium has a molecular weight of 255.25 g/mol, XLogP of -1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium is sourced from PubChem (CID 6964602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).