4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile

C14H16N6O — CID 53230974

IUPAC4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile
SMILESCN(C)c1ccc(-c2nc(NN)n(C)c(=O)c2C#N)cc1
InChIInChI=1S/C14H16N6O/c1-19(2)10-6-4-9(5-7-10)12-11(8-15)13(21)20(3)14(17-12)18-16/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyGNKQLRNEYKWNQU-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.67
Rot. Bonds3

About 4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile

4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile (PubChem CID 53230974) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile
PubChem CID53230974
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile
SMILESCN(C)c1ccc(-c2nc(NN)n(C)c(=O)c2C#N)cc1
InChIInChI=1S/C14H16N6O/c1-19(2)10-6-4-9(5-7-10)12-11(8-15)13(21)20(3)14(17-12)18-16/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyGNKQLRNEYKWNQU-UHFFFAOYSA-N
XLogP0.67
TPSA99.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_B(27)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile (CID 53230974) is 4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile is CN(C)c1ccc(-c2nc(NN)n(C)c(=O)c2C#N)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile?
The InChIKey is GNKQLRNEYKWNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-19(2)10-6-4-9(5-7-10)12-11(8-15)13(21)20(3)14(17-12)18-16/h4-7H,16H2,1-3H3,(H,17,18).
What are the key properties of 4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile?
4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile is sourced from PubChem (CID 53230974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).