N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide

C19H18N6 — CID 71393717

IUPACN'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide
SMILESCc1cc(C)nc(/N=N/C(=NNc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H18N6/c1-14-13-15(2)21-19(20-14)25-24-18(16-9-5-3-6-10-16)23-22-17-11-7-4-8-12-17/h3-13,22H,1-2H3/b23-18?,25-24+
InChIKeyODUZMNBLYFXBLU-WBSUKGENSA-N
MW330.40 g/mol
LogP4.65
Rot. Bonds4

About N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide

N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide (PubChem CID 71393717) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide.

Molecular Properties

Compound NameN'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide
PubChem CID71393717
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC NameN'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide
SMILESCc1cc(C)nc(/N=N/C(=NNc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H18N6/c1-14-13-15(2)21-19(20-14)25-24-18(16-9-5-3-6-10-16)23-22-17-11-7-4-8-12-17/h3-13,22H,1-2H3/b23-18?,25-24+
InChIKeyODUZMNBLYFXBLU-WBSUKGENSA-N
XLogP4.65
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
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': '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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Related Compounds

N'-anilino-N-(2,6-dimethylpyrimidin-4-yl)imino-4-(trifluoromethyl)benzenecarboximidamide
CID 72512777
4-[2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)diazenyl]-phenylmethylidene]hydrazinyl]benzoate
CID 135554596
N'-anilino-N-phenyliminopyridine-4-carboximidamide
CID 91732185
N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide
CID 53413479
N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide
CID 3114987
N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide
CID 171377884
N-(1,3-benzothiazol-2-ylimino)-N'-(4-fluoroanilino)benzenecarboximidamide
CID 138757139
N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide
CID 6373583
N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide
CID 6520538
[4-(N'-anilino-N-phenyliminocarbamimidoyl)phenyl] acetate
CID 3841289
N-(1,3-benzothiazol-2-ylimino)-N'-(2-chloroanilino)benzenecarboximidamide
CID 5024032
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108

Frequently Asked Questions

What is the IUPAC name of N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide?
The IUPAC name of N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide (CID 71393717) is N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide.
What is the SMILES notation for N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide?
The canonical SMILES for N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide is Cc1cc(C)nc(/N=N/C(=NNc2ccccc2)c2ccccc2)n1.
What is the InChIKey of N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide?
The InChIKey is ODUZMNBLYFXBLU-WBSUKGENSA-N. The full InChI is InChI=1S/C19H18N6/c1-14-13-15(2)21-19(20-14)25-24-18(16-9-5-3-6-10-16)23-22-17-11-7-4-8-12-17/h3-13,22H,1-2H3/b23-18?,25-24+.
What are the key properties of N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide?
N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide has a molecular weight of 330.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-N-(4,6-dimethylpyrimidin-2-yl)iminobenzenecarboximidamide is sourced from PubChem (CID 71393717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).