N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide

C15H18FN7O3 — CID 22535789

IUPACN'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
SMILESCC(C)(C)NNc1ncnc(NNC(=O)c2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C15H18FN7O3/c1-15(2,3)22-20-13-11(23(25)26)12(17-8-18-13)19-21-14(24)9-6-4-5-7-10(9)16/h4-8,22H,1-3H3,(H,21,24)(H2,17,18,19,20)
InChIKeyZGWIKNXPUGTWTK-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.00
Rot. Bonds6

About N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide

N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide (PubChem CID 22535789) has the molecular formula C15H18FN7O3 and a molecular weight of 363.35 g/mol. Its IUPAC name is N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
PubChem CID22535789
Molecular FormulaC15H18FN7O3
Molecular Weight363.35 g/mol
Exact Mass363.15
IUPAC NameN'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
SMILESCC(C)(C)NNc1ncnc(NNC(=O)c2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C15H18FN7O3/c1-15(2,3)22-20-13-11(23(25)26)12(17-8-18-13)19-21-14(24)9-6-4-5-7-10(9)16/h4-8,22H,1-3H3,(H,21,24)(H2,17,18,19,20)
InChIKeyZGWIKNXPUGTWTK-UHFFFAOYSA-N
XLogP2.00
TPSA134.11 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22535774
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22535771
2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23483819
N'-[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22535775
N'-[6-(2,5-difluoroanilino)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22535812
2-fluoro-N'-[6-(naphthalen-1-ylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22527560
ethyl 2-[[6-[2-(2-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate
CID 22535827
N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22536028
N'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22531446
2-fluoro-N'-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)benzohydrazide
CID 23493858
2-methyl-N'-[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535258
2-bromo-N'-[6-(ethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23487180

Frequently Asked Questions

What is the IUPAC name of N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide (CID 22535789) is N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide is CC(C)(C)NNc1ncnc(NNC(=O)c2ccccc2F)c1[N+](=O)[O-].
What is the InChIKey of N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide?
The InChIKey is ZGWIKNXPUGTWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN7O3/c1-15(2,3)22-20-13-11(23(25)26)12(17-8-18-13)19-21-14(24)9-6-4-5-7-10(9)16/h4-8,22H,1-3H3,(H,21,24)(H2,17,18,19,20).
What are the key properties of N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide?
N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide has a molecular weight of 363.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-2-fluorobenzohydrazide is sourced from PubChem (CID 22535789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).