2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile

C24H15N5O2 — CID 168571521

IUPAC2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(NN=Cc2cccc3c2oc2ccccc23)[nH]c1=O
InChIInChI=1S/C24H15N5O2/c25-13-19-21(15-7-2-1-3-8-15)27-24(28-23(19)30)29-26-14-16-9-6-11-18-17-10-4-5-12-20(17)31-22(16)18/h1-12,14H,(H2,27,28,29,30)
InChIKeyWERZXHXKKHYCEH-UHFFFAOYSA-N
MW405.42 g/mol
LogP4.65
Rot. Bonds4

About 2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile

2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile (PubChem CID 168571521) has the molecular formula C24H15N5O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is 2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
PubChem CID168571521
Molecular FormulaC24H15N5O2
Molecular Weight405.42 g/mol
Exact Mass405.12
IUPAC Name2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(NN=Cc2cccc3c2oc2ccccc23)[nH]c1=O
InChIInChI=1S/C24H15N5O2/c25-13-19-21(15-7-2-1-3-8-15)27-24(28-23(19)30)29-26-14-16-9-6-11-18-17-10-4-5-12-20(17)31-22(16)18/h1-12,14H,(H2,27,28,29,30)
InChIKeyWERZXHXKKHYCEH-UHFFFAOYSA-N
XLogP4.65
TPSA107.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_B(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(2E)-2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135520020
2-[2-[(5-fluoro-1-benzofuran-4-yl)methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168572318
4-methyl-2-[2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135459162
2-[(2Z)-2-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135689751
4-methyl-2-[(2Z)-2-[(2-methyl-1-benzofuran-3-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135965755
2-[2-[[5-(4-bromophenyl)furan-2-yl]methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168570749
2-[2-[[3-(2-methoxyphenyl)phenyl]methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168570934
2-[[5-[[(5-cyano-6-oxo-4-phenyl-1H-pyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide
CID 168570967
2-[2-[[3-(furan-2-yl)phenyl]methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168571470
2-[2-[[3-(5-methylfuran-2-yl)phenyl]methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168571561
6-oxo-4-phenyl-2-[2-[[2-(4-propan-2-ylphenoxy)phenyl]methylidene]hydrazinyl]-1H-pyrimidine-5-carbonitrile
CID 168571830
6-oxo-4-phenyl-2-[2-[[2-(2-propan-2-ylphenoxy)phenyl]methylidene]hydrazinyl]-1H-pyrimidine-5-carbonitrile
CID 168571831

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile (CID 168571521) is 2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(NN=Cc2cccc3c2oc2ccccc23)[nH]c1=O.
What is the InChIKey of 2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
The InChIKey is WERZXHXKKHYCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N5O2/c25-13-19-21(15-7-2-1-3-8-15)27-24(28-23(19)30)29-26-14-16-9-6-11-18-17-10-4-5-12-20(17)31-22(16)18/h1-12,14H,(H2,27,28,29,30).
What are the key properties of 2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile has a molecular weight of 405.42 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dibenzofuran-4-ylmethylidene)hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 168571521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).