5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine

C12H11FN4O2 — CID 58318914

IUPAC5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine
SMILESCOc1ccc(/C=N/Oc2ncc(F)c(N)n2)cc1
InChIInChI=1S/C12H11FN4O2/c1-18-9-4-2-8(3-5-9)6-16-19-12-15-7-10(13)11(14)17-12/h2-7H,1H3,(H2,14,15,17)/b16-6+
InChIKeyQBYGIJVLSNKBRT-OMCISZLKSA-N
MW262.24 g/mol
LogP1.62
Rot. Bonds4

About 5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine

5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine (PubChem CID 58318914) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine
PubChem CID58318914
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine
SMILESCOc1ccc(/C=N/Oc2ncc(F)c(N)n2)cc1
InChIInChI=1S/C12H11FN4O2/c1-18-9-4-2-8(3-5-9)6-16-19-12-15-7-10(13)11(14)17-12/h2-7H,1H3,(H2,14,15,17)/b16-6+
InChIKeyQBYGIJVLSNKBRT-OMCISZLKSA-N
XLogP1.62
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-dimethoxy-N,N-dimethylmethanamine;5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine;N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide
CID 158897062
N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide
CID 76759378
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylideneamino]oxy-N-methylpyrimidin-4-amine
CID 76759396
N'-[2-[(4-chlorophenyl)methylideneamino]oxy-5-fluoropyrimidin-4-yl]-N,N-dimethylmethanimidamide
CID 76759401
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
(E)-1-(4-methoxyphenyl)-N-phenoxymethanimine
CID 11790929
5-fluoro-6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 59160579
1-(4-methoxyphenyl)-N-quinazolin-4-yloxymethanimine
CID 708286
1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 12643120
2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine
CID 118311907
N-(4-amino-5-fluoropyrimidin-2-yl)oxybenzenecarboximidoyl cyanide
CID 76620545
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine (CID 58318914) is 5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine is COc1ccc(/C=N/Oc2ncc(F)c(N)n2)cc1.
What is the InChIKey of 5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine?
The InChIKey is QBYGIJVLSNKBRT-OMCISZLKSA-N. The full InChI is InChI=1S/C12H11FN4O2/c1-18-9-4-2-8(3-5-9)6-16-19-12-15-7-10(13)11(14)17-12/h2-7H,1H3,(H2,14,15,17)/b16-6+.
What are the key properties of 5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine?
5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine has a molecular weight of 262.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(E)-(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-amine is sourced from PubChem (CID 58318914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).