5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide

C14H15FN4O2 — CID 107605341

IUPAC5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide
SMILESCOc1cc(C)nc(NC(=O)c2cc(N)cc(C)c2F)n1
InChIInChI=1S/C14H15FN4O2/c1-7-4-9(16)6-10(12(7)15)13(20)19-14-17-8(2)5-11(18-14)21-3/h4-6H,16H2,1-3H3,(H,17,18,19,20)
InChIKeyOSAMUCVFBMIACT-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.08
Rot. Bonds3

About 5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide

5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide (PubChem CID 107605341) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide
PubChem CID107605341
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide
SMILESCOc1cc(C)nc(NC(=O)c2cc(N)cc(C)c2F)n1
InChIInChI=1S/C14H15FN4O2/c1-7-4-9(16)6-10(12(7)15)13(20)19-14-17-8(2)5-11(18-14)21-3/h4-6H,16H2,1-3H3,(H,17,18,19,20)
InChIKeyOSAMUCVFBMIACT-UHFFFAOYSA-N
XLogP2.08
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.08
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-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107605297
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide
CID 107600113
3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107953809
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide
CID 107600220
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide
CID 107632020
2-hydroxy-5-methoxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600817
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-4-carboxamide
CID 107603408
5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600816
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431
4-amino-1-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrrole-2-carboxamide
CID 107605300
5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103296614
2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide
CID 107600198

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide?
The IUPAC name of 5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide (CID 107605341) is 5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide is COc1cc(C)nc(NC(=O)c2cc(N)cc(C)c2F)n1.
What is the InChIKey of 5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide?
The InChIKey is OSAMUCVFBMIACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-7-4-9(16)6-10(12(7)15)13(20)19-14-17-8(2)5-11(18-14)21-3/h4-6H,16H2,1-3H3,(H,17,18,19,20).
What are the key properties of 5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide?
5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide has a molecular weight of 290.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide is sourced from PubChem (CID 107605341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).