2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one

C14H14Br2N4O2 — CID 136787540

IUPAC2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(N/N=C\c2cc(Br)cc(Br)c2OC)n1
InChIInChI=1S/C14H14Br2N4O2/c1-3-10-6-12(21)19-14(18-10)20-17-7-8-4-9(15)5-11(16)13(8)22-2/h4-7H,3H2,1-2H3,(H2,18,19,20,21)/b17-7-
InChIKeyBNNPUQHLYNCSRP-IDUWFGFVSA-N
MW430.10 g/mol
LogP3.31
Rot. Bonds5

About 2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one

2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136787540) has the molecular formula C14H14Br2N4O2 and a molecular weight of 430.10 g/mol. Its IUPAC name is 2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID136787540
Molecular FormulaC14H14Br2N4O2
Molecular Weight430.10 g/mol
Exact Mass427.95
IUPAC Name2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(N/N=C\c2cc(Br)cc(Br)c2OC)n1
InChIInChI=1S/C14H14Br2N4O2/c1-3-10-6-12(21)19-14(18-10)20-17-7-8-4-9(15)5-11(16)13(8)22-2/h4-7H,3H2,1-2H3,(H2,18,19,20,21)/b17-7-
InChIKeyBNNPUQHLYNCSRP-IDUWFGFVSA-N
XLogP3.31
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.10
LogP ≤ 53.31
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'}

Analyze 2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[(2Z)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787545
4-ethyl-2-[(2Z)-2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787587
4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787623
4-ethyl-2-[(2Z)-2-[(2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787707
2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135685050
2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787651
2-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787683
4-ethyl-2-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787660
4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787598
4-ethyl-2-[(2Z)-2-[(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787619
2-[(2Z)-2-[(3,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787628
2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787634

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one (CID 136787540) is 2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(N/N=C\c2cc(Br)cc(Br)c2OC)n1.
What is the InChIKey of 2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is BNNPUQHLYNCSRP-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H14Br2N4O2/c1-3-10-6-12(21)19-14(18-10)20-17-7-8-4-9(15)5-11(16)13(8)22-2/h4-7H,3H2,1-2H3,(H2,18,19,20,21)/b17-7-.
What are the key properties of 2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 430.10 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136787540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).