1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine

C18H24FN7O2 — CID 22537549

IUPAC1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine
SMILESCC(C)(C)NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C18H24FN7O2/c1-18(2,3)23-22-16-15(26(27)28)17(21-12-20-16)25-10-8-24(9-11-25)14-6-4-13(19)5-7-14/h4-7,12,23H,8-11H2,1-3H3,(H,20,21,22)
InChIKeyQCWSZHINAFVNMQ-UHFFFAOYSA-N
MW389.44 g/mol
LogP2.57
Rot. Bonds5

About 1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine

1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine (PubChem CID 22537549) has the molecular formula C18H24FN7O2 and a molecular weight of 389.44 g/mol. Its IUPAC name is 1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine
PubChem CID22537549
Molecular FormulaC18H24FN7O2
Molecular Weight389.44 g/mol
Exact Mass389.20
IUPAC Name1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine
SMILESCC(C)(C)NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C18H24FN7O2/c1-18(2,3)23-22-16-15(26(27)28)17(21-12-20-16)25-10-8-24(9-11-25)14-6-4-13(19)5-7-14/h4-7,12,23H,8-11H2,1-3H3,(H,20,21,22)
InChIKeyQCWSZHINAFVNMQ-UHFFFAOYSA-N
XLogP2.57
TPSA99.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 52.57
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

6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine
CID 23487425
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)-5-nitropyrimidin-4-amine
CID 22532903
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)-5-nitropyrimidin-4-amine
CID 22532452
N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4-methylbenzohydrazide
CID 22535126
N-(2-bromophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22532219
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine
CID 23494713
4-bromo-N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535480
N-[(4-fluorophenyl)methyl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 23490942
6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 2959623
N-(4-bromo-2-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22537717
N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-methoxybenzohydrazide
CID 22536127
N-(1-adamantyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22525822

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine?
The IUPAC name of 1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine (CID 22537549) is 1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine.
What is the SMILES notation for 1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine?
The canonical SMILES for 1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine is CC(C)(C)NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-].
What is the InChIKey of 1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine?
The InChIKey is QCWSZHINAFVNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN7O2/c1-18(2,3)23-22-16-15(26(27)28)17(21-12-20-16)25-10-8-24(9-11-25)14-6-4-13(19)5-7-14/h4-7,12,23H,8-11H2,1-3H3,(H,20,21,22).
What are the key properties of 1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine?
1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine has a molecular weight of 389.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 22537549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).