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

C15H16FN5O2 — CID 76759378

IUPACN'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCOc1ccc(C=NOc2ncc(F)c(/N=C/N(C)C)n2)cc1
InChIInChI=1S/C15H16FN5O2/c1-21(2)10-18-14-13(16)9-17-15(20-14)23-19-8-11-4-6-12(22-3)7-5-11/h4-10H,1-3H3/b18-10+,19-8?
InChIKeyGMPATSXCAUMCHM-NPKPKOLJSA-N
MW317.32 g/mol
LogP2.26
Rot. Bonds6

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

N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide (PubChem CID 76759378) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide
PubChem CID76759378
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC NameN'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCOc1ccc(C=NOc2ncc(F)c(/N=C/N(C)C)n2)cc1
InChIInChI=1S/C15H16FN5O2/c1-21(2)10-18-14-13(16)9-17-15(20-14)23-19-8-11-4-6-12(22-3)7-5-11/h4-10H,1-3H3/b18-10+,19-8?
InChIKeyGMPATSXCAUMCHM-NPKPKOLJSA-N
XLogP2.26
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methoxyphenyl)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-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide (CID 76759378) is N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide is COc1ccc(C=NOc2ncc(F)c(/N=C/N(C)C)n2)cc1.
What is the InChIKey of N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The InChIKey is GMPATSXCAUMCHM-NPKPKOLJSA-N. The full InChI is InChI=1S/C15H16FN5O2/c1-21(2)10-18-14-13(16)9-17-15(20-14)23-19-8-11-4-6-12(22-3)7-5-11/h4-10H,1-3H3/b18-10+,19-8?.
What are the key properties of N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide has a molecular weight of 317.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-fluoro-2-[(4-methoxyphenyl)methylideneamino]oxypyrimidin-4-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 76759378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).