1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine

C20H19ClN8O4 — CID 23491009

IUPAC1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine
SMILESO=[N+]([O-])c1ccc(NNc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C20H19ClN8O4/c21-14-2-1-3-17(12-14)26-8-10-27(11-9-26)20-18(29(32)33)19(22-13-23-20)25-24-15-4-6-16(7-5-15)28(30)31/h1-7,12-13,24H,8-11H2,(H,22,23,25)
InChIKeySBJNLUKKKDCGQS-UHFFFAOYSA-N
MW470.88 g/mol
LogP3.71
Rot. Bonds7

About 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine

1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine (PubChem CID 23491009) has the molecular formula C20H19ClN8O4 and a molecular weight of 470.88 g/mol. Its IUPAC name is 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine.

Molecular Properties

Compound Name1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine
PubChem CID23491009
Molecular FormulaC20H19ClN8O4
Molecular Weight470.88 g/mol
Exact Mass470.12
IUPAC Name1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine
SMILESO=[N+]([O-])c1ccc(NNc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C20H19ClN8O4/c21-14-2-1-3-17(12-14)26-8-10-27(11-9-26)20-18(29(32)33)19(22-13-23-20)25-24-15-4-6-16(7-5-15)28(30)31/h1-7,12-13,24H,8-11H2,(H,22,23,25)
InChIKeySBJNLUKKKDCGQS-UHFFFAOYSA-N
XLogP3.71
TPSA142.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.88
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-pyridin-4-ylpyrimidin-4-amine
CID 23481936
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-chloro-3-pyridinyl)-5-nitropyrimidin-4-amine
CID 23491144
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptyl-5-nitropyrimidin-4-amine
CID 23491131
N-(5-chloro-2-methoxyphenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 23484587
2-[4-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 23492602
6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 23491020
6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine
CID 23491004
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]-5-nitropyrimidin-4-amine
CID 23491122
N'-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 23491084
N-(3-chlorophenyl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 22532565
N-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4-methyl-1,3-benzothiazol-2-amine
CID 23491059
3-chloro-N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22526838

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine?
The IUPAC name of 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine (CID 23491009) is 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine.
What is the SMILES notation for 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine?
The canonical SMILES for 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine is O=[N+]([O-])c1ccc(NNc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2[N+](=O)[O-])cc1.
What is the InChIKey of 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine?
The InChIKey is SBJNLUKKKDCGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN8O4/c21-14-2-1-3-17(12-14)26-8-10-27(11-9-26)20-18(29(32)33)19(22-13-23-20)25-24-15-4-6-16(7-5-15)28(30)31/h1-7,12-13,24H,8-11H2,(H,22,23,25).
What are the key properties of 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine?
1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine has a molecular weight of 470.88 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)hydrazine is sourced from PubChem (CID 23491009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).