N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide

C30H24N6O — CID 3114987

IUPACN-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide
SMILESCOc1ccccc1NN=C(/N=N/c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C30H24N6O/c1-37-28-20-12-11-19-25(28)33-34-29(24-17-9-4-10-18-24)35-36-30-31-26(22-13-5-2-6-14-22)21-27(32-30)23-15-7-3-8-16-23/h2-21,33H,1H3/b34-29?,36-35+
InChIKeyWQKJUHAWEIXHJH-RBLHRJQXSA-N
MW484.56 g/mol
LogP7.38
Rot. Bonds7

About N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide

N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide (PubChem CID 3114987) has the molecular formula C30H24N6O and a molecular weight of 484.56 g/mol. Its IUPAC name is N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide.

Molecular Properties

Compound NameN-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide
PubChem CID3114987
Molecular FormulaC30H24N6O
Molecular Weight484.56 g/mol
Exact Mass484.20
IUPAC NameN-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide
SMILESCOc1ccccc1NN=C(/N=N/c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C30H24N6O/c1-37-28-20-12-11-19-25(28)33-34-29(24-17-9-4-10-18-24)35-36-30-31-26(22-13-5-2-6-14-22)21-27(32-30)23-15-7-3-8-16-23/h2-21,33H,1H3/b34-29?,36-35+
InChIKeyWQKJUHAWEIXHJH-RBLHRJQXSA-N
XLogP7.38
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-methoxy-N-(1-phenylpropylideneamino)aniline
CID 4990913
2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline
CID 6242685
2-methoxy-N-(pentan-3-ylideneamino)aniline
CID 154461263
N-[2-methoxy-4-[3-methoxy-4-[[N-(4-nitroanilino)-C-phenylcarbonimidoyl]diazenyl]phenyl]phenyl]imino-N'-(4-nitroanilino)benzenecarboximidamide
CID 4066202
(2E)-N-(2-methoxyanilino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 6260094
N-(2-methoxyanilino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 5058473
(2E)-N-(2-methoxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
CID 6109208
2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
CID 3966942
N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide
CID 6520538
N-(1,3-benzothiazol-2-ylimino)-N'-(4-fluoroanilino)benzenecarboximidamide
CID 138757139
(8-methoxy-2-phenylquinolin-4-yl)hydrazine
CID 62252630
N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545

Frequently Asked Questions

What is the IUPAC name of N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide?
The IUPAC name of N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide (CID 3114987) is N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide.
What is the SMILES notation for N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide?
The canonical SMILES for N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide is COc1ccccc1NN=C(/N=N/c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide?
The InChIKey is WQKJUHAWEIXHJH-RBLHRJQXSA-N. The full InChI is InChI=1S/C30H24N6O/c1-37-28-20-12-11-19-25(28)33-34-29(24-17-9-4-10-18-24)35-36-30-31-26(22-13-5-2-6-14-22)21-27(32-30)23-15-7-3-8-16-23/h2-21,33H,1H3/b34-29?,36-35+.
What are the key properties of N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide?
N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide has a molecular weight of 484.56 g/mol, XLogP of 7.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diphenylpyrimidin-2-yl)imino-N'-(2-methoxyanilino)benzenecarboximidamide is sourced from PubChem (CID 3114987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).