2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one

C17H13BrN4O — CID 136733007

IUPAC2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(N/N=C/c2cccc(Br)c2)[nH]1
InChIInChI=1S/C17H13BrN4O/c18-14-8-4-5-12(9-14)11-19-22-17-20-15(10-16(23)21-17)13-6-2-1-3-7-13/h1-11H,(H2,20,21,22,23)/b19-11+
InChIKeyAMQRHTXBVXUOER-YBFXNURJSA-N
MW369.22 g/mol
LogP3.65
Rot. Bonds4

About 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one

2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136733007) has the molecular formula C17H13BrN4O and a molecular weight of 369.22 g/mol. Its IUPAC name is 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
PubChem CID136733007
Molecular FormulaC17H13BrN4O
Molecular Weight369.22 g/mol
Exact Mass368.03
IUPAC Name2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(N/N=C/c2cccc(Br)c2)[nH]1
InChIInChI=1S/C17H13BrN4O/c18-14-8-4-5-12(9-14)11-19-22-17-20-15(10-16(23)21-17)13-6-2-1-3-7-13/h1-11H,(H2,20,21,22,23)/b19-11+
InChIKeyAMQRHTXBVXUOER-YBFXNURJSA-N
XLogP3.65
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.65
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-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136732929
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136791126
2-[(2Z)-2-[(3-chloro-4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136788184
2-[(2E)-2-[(3-butoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733657
2-[(2E)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136732974
2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733499
2-(3-bromoanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135773852
2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733725
4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136733569
2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135398939
2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733134
2-[(2Z)-2-[(3-methoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920862

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (CID 136733007) is 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2)nc(N/N=C/c2cccc(Br)c2)[nH]1.
What is the InChIKey of 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is AMQRHTXBVXUOER-YBFXNURJSA-N. The full InChI is InChI=1S/C17H13BrN4O/c18-14-8-4-5-12(9-14)11-19-22-17-20-15(10-16(23)21-17)13-6-2-1-3-7-13/h1-11H,(H2,20,21,22,23)/b19-11+.
What are the key properties of 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 369.22 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136733007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).