2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide

C14H14FN5O2 — CID 75478194

IUPAC2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide
SMILESCc1cc(C)nc(NNC(=O)C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C14H14FN5O2/c1-8-7-9(2)17-14(16-8)20-19-13(22)12(21)18-11-6-4-3-5-10(11)15/h3-7H,1-2H3,(H,18,21)(H,19,22)(H,16,17,20)
InChIKeyPGANMXLOIBZHAF-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.31
Rot. Bonds3

About 2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide

2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide (PubChem CID 75478194) has the molecular formula C14H14FN5O2 and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide
PubChem CID75478194
Molecular FormulaC14H14FN5O2
Molecular Weight303.30 g/mol
Exact Mass303.11
IUPAC Name2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide
SMILESCc1cc(C)nc(NNC(=O)C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C14H14FN5O2/c1-8-7-9(2)17-14(16-8)20-19-13(22)12(21)18-11-6-4-3-5-10(11)15/h3-7H,1-2H3,(H,18,21)(H,19,22)(H,16,17,20)
InChIKeyPGANMXLOIBZHAF-UHFFFAOYSA-N
XLogP1.31
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-fluorophenyl)benzamide
CID 99780272
N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 16804589
N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide
CID 108520680
2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334548
N'-(2-fluorophenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514248
N-(4,6-dimethylpyrimidin-2-yl)-2,6-difluorobenzamide
CID 3309967
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
2-(2,6-dichloroanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336824
N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109336831
N-(3-acetamidophenyl)-N'-(2-fluorophenyl)oxamide
CID 108520808
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide?
The IUPAC name of 2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide (CID 75478194) is 2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide?
The canonical SMILES for 2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide is Cc1cc(C)nc(NNC(=O)C(=O)Nc2ccccc2F)n1.
What is the InChIKey of 2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide?
The InChIKey is PGANMXLOIBZHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2/c1-8-7-9(2)17-14(16-8)20-19-13(22)12(21)18-11-6-4-3-5-10(11)15/h3-7H,1-2H3,(H,18,21)(H,19,22)(H,16,17,20).
What are the key properties of 2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide?
2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide has a molecular weight of 303.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide is sourced from PubChem (CID 75478194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).