2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C16H16N6O — CID 135576611

IUPAC2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESC/C(=N\Nc1nc(C)cc(=O)[nH]1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H16N6O/c1-11-9-15(23)19-16(18-11)21-20-12(2)13-3-5-14(6-4-13)22-8-7-17-10-22/h3-10H,1-2H3,(H2,18,19,21,23)/b20-12+
InChIKeyDWXJFTVULDJDOS-UDWIEESQSA-N
MW308.35 g/mol
LogP2.10
Rot. Bonds4

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

2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135576611) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135576611
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESC/C(=N\Nc1nc(C)cc(=O)[nH]1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H16N6O/c1-11-9-15(23)19-16(18-11)21-20-12(2)13-3-5-14(6-4-13)22-8-7-17-10-22/h3-10H,1-2H3,(H2,18,19,21,23)/b20-12+
InChIKeyDWXJFTVULDJDOS-UDWIEESQSA-N
XLogP2.10
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135576611) is 2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is C/C(=N\Nc1nc(C)cc(=O)[nH]1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DWXJFTVULDJDOS-UDWIEESQSA-N. The full InChI is InChI=1S/C16H16N6O/c1-11-9-15(23)19-16(18-11)21-20-12(2)13-3-5-14(6-4-13)22-8-7-17-10-22/h3-10H,1-2H3,(H2,18,19,21,23)/b20-12+.
What are the key properties of 2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 308.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135576611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).