2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol

C18H15BrN4O — CID 135472541

IUPAC2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(N/N=C/c2ccc(Br)cc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H15BrN4O/c1-12-10-17(23-20-11-13-6-8-14(19)9-7-13)22-18(21-12)15-4-2-3-5-16(15)24/h2-11,24H,1H3,(H,21,22,23)/b20-11+
InChIKeyURKJIAHPNNBRCJ-RGVLZGJSSA-N
MW383.25 g/mol
LogP4.37
Rot. Bonds4

About 2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol

2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol (PubChem CID 135472541) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
PubChem CID135472541
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(N/N=C/c2ccc(Br)cc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H15BrN4O/c1-12-10-17(23-20-11-13-6-8-14(19)9-7-13)22-18(21-12)15-4-2-3-5-16(15)24/h2-11,24H,1H3,(H,21,22,23)/b20-11+
InChIKeyURKJIAHPNNBRCJ-RGVLZGJSSA-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': '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-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135443069
4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136690415
2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135472546
4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol
CID 135854092
N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 5338896
2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 3754664
2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 136904721
2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
CID 135421745
2,4-dibromo-6-[4-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 3099378
2,4-dibromo-6-[4-methyl-6-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]pyrimidin-2-yl]phenol
CID 136870503
2-[(E)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-5-propoxyphenol
CID 135495747
2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135907237

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol (CID 135472541) is 2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol is Cc1cc(N/N=C/c2ccc(Br)cc2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The InChIKey is URKJIAHPNNBRCJ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-10-17(23-20-11-13-6-8-14(19)9-7-13)22-18(21-12)15-4-2-3-5-16(15)24/h2-11,24H,1H3,(H,21,22,23)/b20-11+.
What are the key properties of 2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]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 2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 135472541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).