4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol

C18H15BrN4O — CID 136690415

IUPAC4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCc1cc(N/N=C\c2ccc(O)cc2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H15BrN4O/c1-12-10-17(23-20-11-13-2-8-16(24)9-3-13)22-18(21-12)14-4-6-15(19)7-5-14/h2-11,24H,1H3,(H,21,22,23)/b20-11-
InChIKeyQPDFRDIUAZLYBE-JAIQZWGSSA-N
MW383.25 g/mol
LogP4.37
Rot. Bonds4

About 4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol

4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol (PubChem CID 136690415) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
PubChem CID136690415
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCc1cc(N/N=C\c2ccc(O)cc2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H15BrN4O/c1-12-10-17(23-20-11-13-2-8-16(24)9-3-13)22-18(21-12)14-4-6-15(19)7-5-14/h2-11,24H,1H3,(H,21,22,23)/b20-11-
InChIKeyQPDFRDIUAZLYBE-JAIQZWGSSA-N
XLogP4.37
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.37
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

2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135472541
2-[(E)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-5-propoxyphenol
CID 135495747
N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 5338896
4-[(Z)-[(2,6-diphenylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 136767762
4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol
CID 135891453
[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250495
4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136932712
2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135907237
2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135443069
4-[[[4,6-bis(4-methylphenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 154071636
6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine
CID 2842279
2,4-dibromo-6-[4-methyl-6-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]pyrimidin-2-yl]phenol
CID 136870503

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol (CID 136690415) is 4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol is Cc1cc(N/N=C\c2ccc(O)cc2)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The InChIKey is QPDFRDIUAZLYBE-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-10-17(23-20-11-13-2-8-16(24)9-3-13)22-18(21-12)14-4-6-15(19)7-5-14/h2-11,24H,1H3,(H,21,22,23)/b20-11-.
What are the key properties of 4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol has a molecular weight of 383.25 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136690415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).