6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide

C13H12Cl2N6O — CID 144518964

IUPAC6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N=N\N)c1ncnc(-c2ccc(Cl)c(Cl)c2)c1COC
InChIInChI=1S/C13H12Cl2N6O/c1-22-5-8-11(7-2-3-9(14)10(15)4-7)18-6-19-12(8)13(16)20-21-17/h2-4,6H,5H2,1H3,(H3,16,17,20)
InChIKeyOYZKRAIBOJSJDB-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.25
Rot. Bonds4

About 6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide

6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide (PubChem CID 144518964) has the molecular formula C13H12Cl2N6O and a molecular weight of 339.19 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide
PubChem CID144518964
Molecular FormulaC13H12Cl2N6O
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N=N\N)c1ncnc(-c2ccc(Cl)c(Cl)c2)c1COC
InChIInChI=1S/C13H12Cl2N6O/c1-22-5-8-11(7-2-3-9(14)10(15)4-7)18-6-19-12(8)13(16)20-21-17/h2-4,6H,5H2,1H3,(H3,16,17,20)
InChIKeyOYZKRAIBOJSJDB-UHFFFAOYSA-N
XLogP3.25
TPSA109.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide?
The IUPAC name of 6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide (CID 144518964) is 6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide?
The canonical SMILES for 6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide is [H]/N=C(\N=N\N)c1ncnc(-c2ccc(Cl)c(Cl)c2)c1COC.
What is the InChIKey of 6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide?
The InChIKey is OYZKRAIBOJSJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N6O/c1-22-5-8-11(7-2-3-9(14)10(15)4-7)18-6-19-12(8)13(16)20-21-17/h2-4,6H,5H2,1H3,(H3,16,17,20).
What are the key properties of 6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide?
6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide has a molecular weight of 339.19 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 144518964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).