N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide

C15H16N6O4 — CID 23489598

IUPACN'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide
SMILESO=C(NNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H16N6O4/c22-15(11-4-2-1-3-5-11)19-18-13-12(21(23)24)14(17-10-16-13)20-6-8-25-9-7-20/h1-5,10H,6-9H2,(H,19,22)(H,16,17,18)
InChIKeyPQTZXRMZKZGUPY-UHFFFAOYSA-N
MW344.33 g/mol
LogP0.98
Rot. Bonds5

About N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide

N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide (PubChem CID 23489598) has the molecular formula C15H16N6O4 and a molecular weight of 344.33 g/mol. Its IUPAC name is N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide
PubChem CID23489598
Molecular FormulaC15H16N6O4
Molecular Weight344.33 g/mol
Exact Mass344.12
IUPAC NameN'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide
SMILESO=C(NNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H16N6O4/c22-15(11-4-2-1-3-5-11)19-18-13-12(21(23)24)14(17-10-16-13)20-6-8-25-9-7-20/h1-5,10H,6-9H2,(H,19,22)(H,16,17,18)
InChIKeyPQTZXRMZKZGUPY-UHFFFAOYSA-N
XLogP0.98
TPSA122.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
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-morpholin-4-yl-5-nitropyrimidin-4-yl)pyridine-4-carbohydrazide
CID 23489617
N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)furan-2-carbohydrazide
CID 23489620
N'-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23490887
2-chloro-N'-(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)benzohydrazide
CID 23489238
N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22535003
N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4-methylbenzohydrazide
CID 22535126
4-bromo-N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535480
N'-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535069
methyl 2-[(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]benzoate
CID 23489555
6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine
CID 23489505
6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23489551
N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 23490349

Frequently Asked Questions

What is the IUPAC name of N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide?
The IUPAC name of N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide (CID 23489598) is N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide.
What is the SMILES notation for N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide?
The canonical SMILES for N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide is O=C(NNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide?
The InChIKey is PQTZXRMZKZGUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O4/c22-15(11-4-2-1-3-5-11)19-18-13-12(21(23)24)14(17-10-16-13)20-6-8-25-9-7-20/h1-5,10H,6-9H2,(H,19,22)(H,16,17,18).
What are the key properties of N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide?
N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide has a molecular weight of 344.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide is sourced from PubChem (CID 23489598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).