N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide

C19H18FN7O3 — CID 19151220

IUPACN'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide
SMILESNc1c(NNC(=O)COc2ccccc2)ncnc1NNC(=O)c1ccccc1F
InChIInChI=1S/C19H18FN7O3/c20-14-9-5-4-8-13(14)19(29)27-26-18-16(21)17(22-11-23-18)25-24-15(28)10-30-12-6-2-1-3-7-12/h1-9,11H,10,21H2,(H,24,28)(H,27,29)(H2,22,23,25,26)
InChIKeyCVYZRUURBXTSEV-UHFFFAOYSA-N
MW411.40 g/mol
LogP1.48
Rot. Bonds8

About N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide

N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide (PubChem CID 19151220) has the molecular formula C19H18FN7O3 and a molecular weight of 411.40 g/mol. Its IUPAC name is N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide
PubChem CID19151220
Molecular FormulaC19H18FN7O3
Molecular Weight411.40 g/mol
Exact Mass411.15
IUPAC NameN'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide
SMILESNc1c(NNC(=O)COc2ccccc2)ncnc1NNC(=O)c1ccccc1F
InChIInChI=1S/C19H18FN7O3/c20-14-9-5-4-8-13(14)19(29)27-26-18-16(21)17(22-11-23-18)25-24-15(28)10-30-12-6-2-1-3-7-12/h1-9,11H,10,21H2,(H,24,28)(H,27,29)(H2,22,23,25,26)
InChIKeyCVYZRUURBXTSEV-UHFFFAOYSA-N
XLogP1.48
TPSA143.29 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 51.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152330
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19151250
N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19150179
N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152339
methyl 2-[[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19146255
N'-[5-amino-6-(4-bromo-2-fluoroanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152310
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22541037
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22539636
2-fluoro-N'-[2-(4-iodophenoxy)acetyl]benzohydrazide
CID 55332310
N'-[6-(2-fluoroanilino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22527721
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19149900

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide (CID 19151220) is N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide is Nc1c(NNC(=O)COc2ccccc2)ncnc1NNC(=O)c1ccccc1F.
What is the InChIKey of N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide?
The InChIKey is CVYZRUURBXTSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O3/c20-14-9-5-4-8-13(14)19(29)27-26-18-16(21)17(22-11-23-18)25-24-15(28)10-30-12-6-2-1-3-7-12/h1-9,11H,10,21H2,(H,24,28)(H,27,29)(H2,22,23,25,26).
What are the key properties of N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide?
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide has a molecular weight of 411.40 g/mol, XLogP of 1.48, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide is sourced from PubChem (CID 19151220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).