2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C14H14F2N4O2 — CID 135824051

IUPAC2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESC/C(=N/Nc1nc(C)cc(=O)[nH]1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H14F2N4O2/c1-8-6-12(21)18-14(17-8)20-19-9(2)10-4-3-5-11(7-10)22-13(15)16/h3-7,13H,1-2H3,(H2,17,18,20,21)/b19-9-
InChIKeyHYNJAEUXMUTTCU-OCKHKDLRSA-N
MW308.29 g/mol
LogP2.52
Rot. Bonds5

About 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135824051) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135824051
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESC/C(=N/Nc1nc(C)cc(=O)[nH]1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H14F2N4O2/c1-8-6-12(21)18-14(17-8)20-19-9(2)10-4-3-5-11(7-10)22-13(15)16/h3-7,13H,1-2H3,(H2,17,18,20,21)/b19-9-
InChIKeyHYNJAEUXMUTTCU-OCKHKDLRSA-N
XLogP2.52
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.52
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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Related Compounds

2-[(2Z)-2-[1-(3-chlorophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824185
2-[(2Z)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824144
2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135435551
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline
CID 9076263
2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135465283
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzothiazol-2-amine
CID 9017037
4-methyl-2-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135460315
2-[(2E)-2-[[2-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135676351
2-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135609452
2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983820
(2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate
CID 135593603
2-[(2E)-2-[(E)-1,3-diphenylbut-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136795191

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135824051) is 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is C/C(=N/Nc1nc(C)cc(=O)[nH]1)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is HYNJAEUXMUTTCU-OCKHKDLRSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c1-8-6-12(21)18-14(17-8)20-19-9(2)10-4-3-5-11(7-10)22-13(15)16/h3-7,13H,1-2H3,(H2,17,18,20,21)/b19-9-.
What are the key properties of 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 308.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135824051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).