5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione

C7H10N4O2 — CID 135455283

IUPAC5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
SMILESCN(C)/N=C/c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O2/c1-11(2)9-4-5-3-8-7(13)10-6(5)12/h3-4H,1-2H3,(H2,8,10,12,13)/b9-4+
InChIKeyIXKALJDRUQCYNB-RUDMXATFSA-N
MW182.18 g/mol
LogP-1.04
Rot. Bonds2

About 5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione

5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 135455283) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
PubChem CID135455283
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
SMILESCN(C)/N=C/c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O2/c1-11(2)9-4-5-3-8-7(13)10-6(5)12/h3-4H,1-2H3,(H2,8,10,12,13)/b9-4+
InChIKeyIXKALJDRUQCYNB-RUDMXATFSA-N
XLogP-1.04
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione (CID 135455283) is 5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione is CN(C)/N=C/c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is IXKALJDRUQCYNB-RUDMXATFSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-11(2)9-4-5-3-8-7(13)10-6(5)12/h3-4H,1-2H3,(H2,8,10,12,13)/b9-4+.
What are the key properties of 5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione?
5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(dimethylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135455283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).