4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol

C24H20N4O — CID 135458768

IUPAC4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(O)cc1
InChIInChI=1S/C24H20N4O/c1-17(18-12-14-21(29)15-13-18)27-28-23-16-22(19-8-4-2-5-9-19)25-24(26-23)20-10-6-3-7-11-20/h2-16,29H,1H3,(H,25,26,28)/b27-17-
InChIKeyLFPIXOGEWFJVKC-PKAZHMFMSA-N
MW380.45 g/mol
LogP5.35
Rot. Bonds5

About 4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol

4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol (PubChem CID 135458768) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol
PubChem CID135458768
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(O)cc1
InChIInChI=1S/C24H20N4O/c1-17(18-12-14-21(29)15-13-18)27-28-23-16-22(19-8-4-2-5-9-19)25-24(26-23)20-10-6-3-7-11-20/h2-16,29H,1H3,(H,25,26,28)/b27-17-
InChIKeyLFPIXOGEWFJVKC-PKAZHMFMSA-N
XLogP5.35
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-((6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
2-[4-(4-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719248
4-[6-(4-Hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
CID 789621
4-((1E)-2-{[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino}-2-azavinyl)-2-me thylbenzene-1,3-diol
CID 135443092
2-[4-(2-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719253
1-(4-Methoxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 5332849
1-(4-Hydroxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135458773
4-{(E)-[2-(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl}benzene-1,3-diol
CID 135536508
4-(1-{[2-(4-Methoxy-phenyl)-quinazolin-4-yl]-hydrazono}-ethyl)-phenol
CID 135558973
4-(5-Allyl-6-methyl-2-phenyl-pyrimidin-4-ylamino)-phenol
CID 766801
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 57691336
3,4-Dihydroxybenzaldehyde (4,6-diphenyl-2-pyrimidinyl)(methyl)hydrazone
CID 135425028

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol (CID 135458768) is 4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol is C/C(=N/Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol?
The InChIKey is LFPIXOGEWFJVKC-PKAZHMFMSA-N. The full InChI is InChI=1S/C24H20N4O/c1-17(18-12-14-21(29)15-13-18)27-28-23-16-22(19-8-4-2-5-9-19)25-24(26-23)20-10-6-3-7-11-20/h2-16,29H,1H3,(H,25,26,28)/b27-17-.
What are the key properties of 4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol?
4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol has a molecular weight of 380.45 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-[(2,6-diphenylpyrimidin-4-yl)amino]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135458768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).