N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide

C15H18N6O3 — CID 23488754

IUPACN'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
SMILESCCN(CC)c1ncnc(NNC(=O)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H18N6O3/c1-3-20(4-2)14-12(21(23)24)13(16-10-17-14)18-19-15(22)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,19,22)(H,16,17,18)
InChIKeyRVNRUZNUFDTNDI-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.99
Rot. Bonds7

About N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide

N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide (PubChem CID 23488754) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
PubChem CID23488754
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC NameN'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
SMILESCCN(CC)c1ncnc(NNC(=O)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C15H18N6O3/c1-3-20(4-2)14-12(21(23)24)13(16-10-17-14)18-19-15(22)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,19,22)(H,16,17,18)
InChIKeyRVNRUZNUFDTNDI-UHFFFAOYSA-N
XLogP1.99
TPSA113.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23488775
N'-[6-[bis(cyanomethyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23493345
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 23488780
N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 23478300
N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 23488375
3-chloro-N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23488377
N'-[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535053
N'-[6-(hexadecylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23494500
N'-[6-(2-chloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22532046
N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22535003
N'-[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]-2-nitrobenzohydrazide
CID 23478289
4-chloro-N'-[6-[ethyl(naphthalen-1-yl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23484467

Frequently Asked Questions

What is the IUPAC name of N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide?
The IUPAC name of N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide (CID 23488754) is N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide.
What is the SMILES notation for N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide?
The canonical SMILES for N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide is CCN(CC)c1ncnc(NNC(=O)c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide?
The InChIKey is RVNRUZNUFDTNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-3-20(4-2)14-12(21(23)24)13(16-10-17-14)18-19-15(22)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,19,22)(H,16,17,18).
What are the key properties of N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide?
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide has a molecular weight of 330.35 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide is sourced from PubChem (CID 23488754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).