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

C15H11BrN4O2 — CID 136733499

IUPAC2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(N/N=C/c2ccc(Br)o2)[nH]1
InChIInChI=1S/C15H11BrN4O2/c16-13-7-6-11(22-13)9-17-20-15-18-12(8-14(21)19-15)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20,21)/b17-9+
InChIKeyBTQUPWRJPRVQCS-RQZCQDPDSA-N
MW359.18 g/mol
LogP3.24
Rot. Bonds4

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

2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136733499) has the molecular formula C15H11BrN4O2 and a molecular weight of 359.18 g/mol. Its IUPAC name is 2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
PubChem CID136733499
Molecular FormulaC15H11BrN4O2
Molecular Weight359.18 g/mol
Exact Mass358.01
IUPAC Name2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(N/N=C/c2ccc(Br)o2)[nH]1
InChIInChI=1S/C15H11BrN4O2/c16-13-7-6-11(22-13)9-17-20-15-18-12(8-14(21)19-15)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20,21)/b17-9+
InChIKeyBTQUPWRJPRVQCS-RQZCQDPDSA-N
XLogP3.24
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.24
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-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733007
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136791126
2-[(2E)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136732974
2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135398939
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136732929
4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136733569
2-[(2Z)-2-[(3-chloro-4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136788184
2-[(2E)-2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733725
2-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920913
2-[(2E)-2-[(3-butoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733657
2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920869
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-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (CID 136733499) is 2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2)nc(N/N=C/c2ccc(Br)o2)[nH]1.
What is the InChIKey of 2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is BTQUPWRJPRVQCS-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H11BrN4O2/c16-13-7-6-11(22-13)9-17-20-15-18-12(8-14(21)19-15)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20,21)/b17-9+.
What are the key properties of 2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 359.18 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136733499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).