6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

C8H10N4O4 — CID 92945631

IUPAC6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
SMILESCN(C)/C=C\c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O4/c1-11(2)4-3-5-6(12(15)16)7(13)10-8(14)9-5/h3-4H,1-2H3,(H2,9,10,13,14)/b4-3-
InChIKeyYLWAFVBXTFWGLP-ARJAWSKDSA-N
MW226.19 g/mol
LogP-0.50
Rot. Bonds3

About 6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione (PubChem CID 92945631) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
PubChem CID92945631
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
SMILESCN(C)/C=C\c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O4/c1-11(2)4-3-5-6(12(15)16)7(13)10-8(14)9-5/h3-4H,1-2H3,(H2,9,10,13,14)/b4-3-
InChIKeyYLWAFVBXTFWGLP-ARJAWSKDSA-N
XLogP-0.50
TPSA112.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione (CID 92945631) is 6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is CN(C)/C=C\c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-].
What is the InChIKey of 6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione?
The InChIKey is YLWAFVBXTFWGLP-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H10N4O4/c1-11(2)4-3-5-6(12(15)16)7(13)10-8(14)9-5/h3-4H,1-2H3,(H2,9,10,13,14)/b4-3-.
What are the key properties of 6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione?
6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione has a molecular weight of 226.19 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 92945631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).