N'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide

C15H16FN5O — CID 76759413

IUPACN'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCc1ccc(C=NOc2ncc(F)c(/N=C/N(C)C)n2)cc1
InChIInChI=1S/C15H16FN5O/c1-11-4-6-12(7-5-11)8-19-22-15-17-9-13(16)14(20-15)18-10-21(2)3/h4-10H,1-3H3/b18-10+,19-8?
InChIKeyCYWLSOVXEKPYCU-NPKPKOLJSA-N
MW301.33 g/mol
LogP2.56
Rot. Bonds5

About N'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide

N'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide (PubChem CID 76759413) has the molecular formula C15H16FN5O and a molecular weight of 301.33 g/mol. Its IUPAC name is N'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide
PubChem CID76759413
Molecular FormulaC15H16FN5O
Molecular Weight301.33 g/mol
Exact Mass301.13
IUPAC NameN'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCc1ccc(C=NOc2ncc(F)c(/N=C/N(C)C)n2)cc1
InChIInChI=1S/C15H16FN5O/c1-11-4-6-12(7-5-11)8-19-22-15-17-9-13(16)14(20-15)18-10-21(2)3/h4-10H,1-3H3/b18-10+,19-8?
InChIKeyCYWLSOVXEKPYCU-NPKPKOLJSA-N
XLogP2.56
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide (CID 76759413) is N'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide is Cc1ccc(C=NOc2ncc(F)c(/N=C/N(C)C)n2)cc1.
What is the InChIKey of N'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The InChIKey is CYWLSOVXEKPYCU-NPKPKOLJSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-11-4-6-12(7-5-11)8-19-22-15-17-9-13(16)14(20-15)18-10-21(2)3/h4-10H,1-3H3/b18-10+,19-8?.
What are the key properties of N'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
N'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide has a molecular weight of 301.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-fluoro-2-[(4-methylphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 76759413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).