2-[(2E)-2-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C15H22N4O — CID 135676275

IUPAC2-[(2E)-2-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCC(C)=CCC/C(C)=C/C=N/Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C15H22N4O/c1-11(2)6-5-7-12(3)8-9-16-19-15-17-13(4)10-14(20)18-15/h6,8-10H,5,7H2,1-4H3,(H2,17,18,19,20)/b12-8+,16-9+
InChIKeyNPUWDCYNVXIUFK-IGXSASHASA-N
MW274.37 g/mol
LogP3.17
Rot. Bonds6

About 2-[(2E)-2-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2E)-2-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135676275) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(2E)-2-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135676275
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[(2E)-2-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCC(C)=CCC/C(C)=C/C=N/Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C15H22N4O/c1-11(2)6-5-7-12(3)8-9-16-19-15-17-13(4)10-14(20)18-15/h6,8-10H,5,7H2,1-4H3,(H2,17,18,19,20)/b12-8+,16-9+
InChIKeyNPUWDCYNVXIUFK-IGXSASHASA-N
XLogP3.17
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135676275) is 2-[(2E)-2-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is CC(C)=CCC/C(C)=C/C=N/Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[(2E)-2-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is NPUWDCYNVXIUFK-IGXSASHASA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)6-5-7-12(3)8-9-16-19-15-17-13(4)10-14(20)18-15/h6,8-10H,5,7H2,1-4H3,(H2,17,18,19,20)/b12-8+,16-9+.
What are the key properties of 2-[(2E)-2-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 274.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135676275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).