2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one

C19H17BrN4O2 — CID 136733725

IUPAC2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESCCOc1ccc(Br)cc1/C=N/Nc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C19H17BrN4O2/c1-2-26-17-9-8-15(20)10-14(17)12-21-24-19-22-16(11-18(25)23-19)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H2,22,23,24,25)/b21-12+
InChIKeyDQOPSIGLFHSPNR-CIAFOILYSA-N
MW413.28 g/mol
LogP4.04
Rot. Bonds6

About 2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one

2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136733725) has the molecular formula C19H17BrN4O2 and a molecular weight of 413.28 g/mol. Its IUPAC name is 2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
PubChem CID136733725
Molecular FormulaC19H17BrN4O2
Molecular Weight413.28 g/mol
Exact Mass412.05
IUPAC Name2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESCCOc1ccc(Br)cc1/C=N/Nc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C19H17BrN4O2/c1-2-26-17-9-8-15(20)10-14(17)12-21-24-19-22-16(11-18(25)23-19)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H2,22,23,24,25)/b21-12+
InChIKeyDQOPSIGLFHSPNR-CIAFOILYSA-N
XLogP4.04
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 54.04
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-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920913
2-[(2E)-2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733579
2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733134
2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733007
2-[(2Z)-2-[(3-methoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920862
2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920869
2-[(2E)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136732974
2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788418
2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135398939
2-[(2E)-2-[(3-butoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733657
2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733499
4-(4-methoxyphenyl)-2-[(2Z)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136788283

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (CID 136733725) is 2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is CCOc1ccc(Br)cc1/C=N/Nc1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is DQOPSIGLFHSPNR-CIAFOILYSA-N. The full InChI is InChI=1S/C19H17BrN4O2/c1-2-26-17-9-8-15(20)10-14(17)12-21-24-19-22-16(11-18(25)23-19)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H2,22,23,24,25)/b21-12+.
What are the key properties of 2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 413.28 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136733725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).