2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine

C22H24N6O2 — CID 23489744

IUPAC2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
SMILESO=[N+]([O-])c1c(NN(c2ccccc2)c2ccccc2)ncnc1N1CCCCCC1
InChIInChI=1S/C22H24N6O2/c29-28(30)20-21(23-17-24-22(20)26-15-9-1-2-10-16-26)25-27(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,23,24,25)
InChIKeyGDUHVDHUCDTYGA-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.93
Rot. Bonds6

About 2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine

2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine (PubChem CID 23489744) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine.

Molecular Properties

Compound Name2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
PubChem CID23489744
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
SMILESO=[N+]([O-])c1c(NN(c2ccccc2)c2ccccc2)ncnc1N1CCCCCC1
InChIInChI=1S/C22H24N6O2/c29-28(30)20-21(23-17-24-22(20)26-15-9-1-2-10-16-26)25-27(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,23,24,25)
InChIKeyGDUHVDHUCDTYGA-UHFFFAOYSA-N
XLogP4.93
TPSA87.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
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

2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 23492446
N-methyl-5-nitro-N-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 23489359
6-(azepan-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine
CID 23489844
2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 22528078
N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23478725
2-[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 22530763
5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23487470
6-(azepan-1-yl)-N-(4-chlorophenyl)-5-nitropyrimidin-4-amine
CID 23489763
N-(3-methylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
CID 23489390
N-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23488128
N-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
CID 23489406
N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23489184

Frequently Asked Questions

What is the IUPAC name of 2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine?
The IUPAC name of 2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine (CID 23489744) is 2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine.
What is the SMILES notation for 2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine?
The canonical SMILES for 2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine is O=[N+]([O-])c1c(NN(c2ccccc2)c2ccccc2)ncnc1N1CCCCCC1.
What is the InChIKey of 2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine?
The InChIKey is GDUHVDHUCDTYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c29-28(30)20-21(23-17-24-22(20)26-15-9-1-2-10-16-26)25-27(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,23,24,25).
What are the key properties of 2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine?
2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine has a molecular weight of 404.47 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine is sourced from PubChem (CID 23489744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).