2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C₁₇H₁₄F₂N₄O₂ — CID 135824289

About 2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135824289) has the molecular formula C₁₇H₁₄F₂N₄O₂ and a molecular weight of 344.32 g/mol. Its IUPAC name is 2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
• PubChem CID: 135824289
• Molecular Formula: C₁₇H₁₄F₂N₄O₂
• Molecular Weight: 344.32 g/mol
• Exact Mass: 344.11
• IUPAC Name: 2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
• SMILES: Cc1cc(=O)[nH]c(N/N=C\c2c(OC(F)F)ccc3ccccc23)n1
• InChI: InChI=1S/C17H14F2N4O2/c1-10-8-15(24)22-17(21-10)23-20-9-13-12-5-3-2-4-11(12)6-7-14(13)25-16(18)19/h2-9,16H,1H3,(H2,21,22,23,24)/b20-9-
• InChIKey: UBXPEAYAKJBEOP-UKWGHVSLSA-N
• XLogP: 3.28
• TPSA: 79.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.32
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?

The IUPAC name of 2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135824289) is 2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

What is the SMILES notation for 2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?

The canonical SMILES for 2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C\c2c(OC(F)F)ccc3ccccc23)n1.

What is the InChIKey of 2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?

The InChIKey is UBXPEAYAKJBEOP-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-10-8-15(24)22-17(21-10)23-20-9-13-12-5-3-2-4-11(12)6-7-14(13)25-16(18)19/h2-9,16H,1H3,(H2,21,22,23,24)/b20-9-.

What are the key properties of 2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?

2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 344.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135824289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135824289 — identifiers, structure, computed properties (public domain)

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