2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C12H11FN4O — CID 135454399

IUPAC2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN4O/c1-8-6-11(18)16-12(15-8)17-14-7-9-2-4-10(13)5-3-9/h2-7H,1H3,(H2,15,16,17,18)/b14-7+
InChIKeyMLQKVTCNTCMLDA-VGOFMYFVSA-N
MW246.25 g/mol
LogP1.66
Rot. Bonds3

About 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135454399) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135454399
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN4O/c1-8-6-11(18)16-12(15-8)17-14-7-9-2-4-10(13)5-3-9/h2-7H,1H3,(H2,15,16,17,18)/b14-7+
InChIKeyMLQKVTCNTCMLDA-VGOFMYFVSA-N
XLogP1.66
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-6-methyl-2-(2-(2-phenylpropylidene)hydrazinyl)pyrimidin-4(3H)-one
CID 135412004
2-(Cinnamylidenehydrazino)-4-hydroxy-6-methylpyrimidine
CID 135454405
Benzaldehyde (2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)hydrazone
CID 9609673
2-[N'-(3-Bromo-benzylidene)-hydrazino]-6-methyl-pyrimidin-4-ol
CID 135537505
2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135676154
(1E)-3-phenylpropanal (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135412007
2-Chlorobenzaldehyde (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135421727
(1E,2E)-2-methyl-3-phenylacrylaldehyde (5-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 6863503
2-amino-6-(trifluoromethyl)-3-({(E)-[2-(trifluoromethyl)phenyl]methylidene}amino)-4(3H)-pyrimidinone
CID 9638892
3-Phenylacrylaldehyde (6-oxo-4-propyl-1,6-dihydro-2-pyrimidinyl)hydrazone
CID 135412169
(1E,2E)-2-methyl-3-phenylacrylaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135433183
4-methyl-2-[(2E)-2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135519952

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135454399) is 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/c2ccc(F)cc2)n1.
What is the InChIKey of 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MLQKVTCNTCMLDA-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-8-6-11(18)16-12(15-8)17-14-7-9-2-4-10(13)5-3-9/h2-7H,1H3,(H2,15,16,17,18)/b14-7+.
What are the key properties of 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 246.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135454399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).