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

C17H14F2N4O2 — CID 135824289

IUPAC2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C\c2c(OC(F)F)ccc3ccccc23)n1
InChIInChI=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-
InChIKeyUBXPEAYAKJBEOP-UKWGHVSLSA-N
MW344.32 g/mol
LogP3.28
Rot. Bonds5

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 Name2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135824289
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name2-[(2Z)-2-[[2-(difluoromethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C\c2c(OC(F)F)ccc3ccccc23)n1
InChIInChI=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-
InChIKeyUBXPEAYAKJBEOP-UKWGHVSLSA-N
XLogP3.28
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.28
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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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).