N'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide

C11H8F2N6 — CID 137045363

IUPACN'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide
SMILES[H]/N=N/N=C(N)c1cc(-c2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C11H8F2N6/c12-7-2-1-6(3-8(7)13)9-4-10(17-5-16-9)11(14)18-19-15/h1-5H,(H3,14,15,18)
InChIKeyPGQLXVWEZYNGIF-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.07
Rot. Bonds3

About N'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide

N'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide (PubChem CID 137045363) has the molecular formula C11H8F2N6 and a molecular weight of 262.22 g/mol. Its IUPAC name is N'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide
PubChem CID137045363
Molecular FormulaC11H8F2N6
Molecular Weight262.22 g/mol
Exact Mass262.08
IUPAC NameN'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide
SMILES[H]/N=N/N=C(N)c1cc(-c2ccc(F)c(F)c2)ncn1
InChIInChI=1S/C11H8F2N6/c12-7-2-1-6(3-8(7)13)9-4-10(17-5-16-9)11(14)18-19-15/h1-5H,(H3,14,15,18)
InChIKeyPGQLXVWEZYNGIF-UHFFFAOYSA-N
XLogP2.07
TPSA100.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide?
The IUPAC name of N'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide (CID 137045363) is N'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide?
The canonical SMILES for N'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide is [H]/N=N/N=C(N)c1cc(-c2ccc(F)c(F)c2)ncn1.
What is the InChIKey of N'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide?
The InChIKey is PGQLXVWEZYNGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N6/c12-7-2-1-6(3-8(7)13)9-4-10(17-5-16-9)11(14)18-19-15/h1-5H,(H3,14,15,18).
What are the key properties of N'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide?
N'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide has a molecular weight of 262.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-diazenyl-6-(3,4-difluorophenyl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 137045363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).