2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide

C13H13FN4O2 — CID 107605297

IUPAC2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
SMILESCOc1cc(C)nc(NC(=O)c2ccc(F)cc2N)n1
InChIInChI=1S/C13H13FN4O2/c1-7-5-11(20-2)17-13(16-7)18-12(19)9-4-3-8(14)6-10(9)15/h3-6H,15H2,1-2H3,(H,16,17,18,19)
InChIKeyNXKIWQQZILXNER-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.77
Rot. Bonds3

About 2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide

2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide (PubChem CID 107605297) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
PubChem CID107605297
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
SMILESCOc1cc(C)nc(NC(=O)c2ccc(F)cc2N)n1
InChIInChI=1S/C13H13FN4O2/c1-7-5-11(20-2)17-13(16-7)18-12(19)9-4-3-8(14)6-10(9)15/h3-6H,15H2,1-2H3,(H,16,17,18,19)
InChIKeyNXKIWQQZILXNER-UHFFFAOYSA-N
XLogP1.77
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide
CID 107600113
5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide
CID 107605341
2-amino-4-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624330
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide
CID 107600220
3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107953809
2-hydroxy-5-methoxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600817
5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600816
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-4-carboxamide
CID 107603408
2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide
CID 107600198
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide
CID 107626172
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide
CID 107632020

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
The IUPAC name of 2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide (CID 107605297) is 2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide is COc1cc(C)nc(NC(=O)c2ccc(F)cc2N)n1.
What is the InChIKey of 2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
The InChIKey is NXKIWQQZILXNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-7-5-11(20-2)17-13(16-7)18-12(19)9-4-3-8(14)6-10(9)15/h3-6H,15H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide has a molecular weight of 276.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 107605297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).