4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol

C25H22N4O — CID 154071636

IUPAC4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)nc(NN=Cc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C25H22N4O/c1-17-3-9-20(10-4-17)23-15-24(21-11-5-18(2)6-12-21)28-25(27-23)29-26-16-19-7-13-22(30)14-8-19/h3-16,30H,1-2H3,(H,27,28,29)
InChIKeyRXPZLJQJVKJVPZ-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.58
Rot. Bonds5

About 4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol

4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 154071636) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
PubChem CID154071636
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)nc(NN=Cc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C25H22N4O/c1-17-3-9-20(10-4-17)23-15-24(21-11-5-18(2)6-12-21)28-25(27-23)29-26-16-19-7-13-22(30)14-8-19/h3-16,30H,1-2H3,(H,27,28,29)
InChIKeyRXPZLJQJVKJVPZ-UHFFFAOYSA-N
XLogP5.58
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.58
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'}

Analyze 4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol with MolForge

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Related Compounds

N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306
N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842311
2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
CID 135421745
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304
2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 2842336
2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methylpyrimidin-5-ol
CID 137309685
4-[(Z)-[(2,6-diphenylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 136767762
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 136861796
4-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 2867287
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine
CID 58065252
4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135400458

Frequently Asked Questions

What is the IUPAC name of 4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol (CID 154071636) is 4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol is Cc1ccc(-c2cc(-c3ccc(C)cc3)nc(NN=Cc3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is RXPZLJQJVKJVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-17-3-9-20(10-4-17)23-15-24(21-11-5-18(2)6-12-21)28-25(27-23)29-26-16-19-7-13-22(30)14-8-19/h3-16,30H,1-2H3,(H,27,28,29).
What are the key properties of 4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol?
4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 394.48 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 154071636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).