2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C13H13BrN4O — CID 135465283

IUPAC2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCC(=NNc1nc(C)cc(=O)[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrN4O/c1-8-7-12(19)16-13(15-8)18-17-9(2)10-3-5-11(14)6-4-10/h3-7H,1-2H3,(H2,15,16,18,19)
InChIKeySEDLFYSLBUWMND-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.68
Rot. Bonds3

About 2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135465283) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135465283
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCC(=NNc1nc(C)cc(=O)[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrN4O/c1-8-7-12(19)16-13(15-8)18-17-9(2)10-3-5-11(14)6-4-10/h3-7H,1-2H3,(H2,15,16,18,19)
InChIKeySEDLFYSLBUWMND-UHFFFAOYSA-N
XLogP2.68
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-(3-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824144
2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135435551
2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135458782
2-[(2Z)-2-[1-(3-chlorophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824185
2-[(2Z)-2-[1-(1,3-benzodioxol-5-yl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824188
4-methyl-2-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135460315
2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
CID 135521075
2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824051
2-[(2E)-2-[1-(5-chloro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824258
(2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate
CID 135593603
2-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135609452
2-[(2Z)-2-[1-(1,3-benzothiazol-2-yl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135739401

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135465283) is 2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is CC(=NNc1nc(C)cc(=O)[nH]1)c1ccc(Br)cc1.
What is the InChIKey of 2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SEDLFYSLBUWMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-8-7-12(19)16-13(15-8)18-17-9(2)10-3-5-11(14)6-4-10/h3-7H,1-2H3,(H2,15,16,18,19).
What are the key properties of 2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 321.18 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135465283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).