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

C23H26N6O2 — CID 23492446

IUPAC2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
SMILESCCC1CCCCN1c1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C23H26N6O2/c1-2-18-11-9-10-16-27(18)23-21(29(30)31)22(24-17-25-23)26-28(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-8,12-15,17-18H,2,9-11,16H2,1H3,(H,24,25,26)
InChIKeyKOCWZSLBXJCLBO-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.32
Rot. Bonds7

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

2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine (PubChem CID 23492446) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine.

Molecular Properties

Compound Name2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
PubChem CID23492446
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
SMILESCCC1CCCCN1c1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C23H26N6O2/c1-2-18-11-9-10-16-27(18)23-21(29(30)31)22(24-17-25-23)26-28(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-8,12-15,17-18H,2,9-11,16H2,1H3,(H,24,25,26)
InChIKeyKOCWZSLBXJCLBO-UHFFFAOYSA-N
XLogP5.32
TPSA87.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.32
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

6-(2-ethylpiperidin-1-yl)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23492438
6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine
CID 23492456
N-(2-chlorophenyl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492457
2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 23489744
6-(2-ethylpiperidin-1-yl)-N-(6-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23480806
6-(2-ethylpyrrolidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80793978
6-(2-ethylpiperidin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 23492439
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492445
4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine
CID 23492227
N-(5-chloro-2,4-dimethoxyphenyl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492531
6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine
CID 80798120
N-ethyl-6-(2-ethylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 23484380

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine?
The IUPAC name of 2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine (CID 23492446) is 2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine.
What is the SMILES notation for 2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine?
The canonical SMILES for 2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine is CCC1CCCCN1c1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine?
The InChIKey is KOCWZSLBXJCLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-2-18-11-9-10-16-27(18)23-21(29(30)31)22(24-17-25-23)26-28(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-8,12-15,17-18H,2,9-11,16H2,1H3,(H,24,25,26).
What are the key properties of 2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine?
2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine has a molecular weight of 418.50 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine is sourced from PubChem (CID 23492446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).