2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol

C23H17FN4O — CID 2842336

IUPAC2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nc(NN=Cc2ccc(F)cc2)n1
InChIInChI=1S/C23H17FN4O/c24-18-12-10-16(11-13-18)15-25-28-23-26-20(17-6-2-1-3-7-17)14-21(27-23)19-8-4-5-9-22(19)29/h1-15,29H,(H,26,27,28)
InChIKeyOJCPQZJGWODJJI-UHFFFAOYSA-N
MW384.41 g/mol
LogP5.10
Rot. Bonds5

About 2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol

2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol (PubChem CID 2842336) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
PubChem CID2842336
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC Name2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nc(NN=Cc2ccc(F)cc2)n1
InChIInChI=1S/C23H17FN4O/c24-18-12-10-16(11-13-18)15-25-28-23-26-20(17-6-2-1-3-7-17)14-21(27-23)19-8-4-5-9-22(19)29/h1-15,29H,(H,26,27,28)
InChIKeyOJCPQZJGWODJJI-UHFFFAOYSA-N
XLogP5.10
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 3092887
2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
CID 135421745
N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842311
2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 135458790
2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 3092883
N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306
N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338887
4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 154071636
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 135443156
4-[[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-2-hydroxybenzoic acid
CID 3092307
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol (CID 2842336) is 2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol is Oc1ccccc1-c1cc(-c2ccccc2)nc(NN=Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol?
The InChIKey is OJCPQZJGWODJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c24-18-12-10-16(11-13-18)15-25-28-23-26-20(17-6-2-1-3-7-17)14-21(27-23)19-8-4-5-9-22(19)29/h1-15,29H,(H,26,27,28).
What are the key properties of 2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol?
2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol has a molecular weight of 384.41 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol is sourced from PubChem (CID 2842336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).