6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine

C17H21FN6O2 — CID 23487425

IUPAC6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C17H21FN6O2/c1-2-7-19-16-15(24(25)26)17(21-12-20-16)23-10-8-22(9-11-23)14-5-3-13(18)4-6-14/h3-6,12H,2,7-11H2,1H3,(H,19,20,21)
InChIKeyVUNVBYYDNKNQBY-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.67
Rot. Bonds6

About 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine

6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine (PubChem CID 23487425) has the molecular formula C17H21FN6O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine
PubChem CID23487425
Molecular FormulaC17H21FN6O2
Molecular Weight360.39 g/mol
Exact Mass360.17
IUPAC Name6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C17H21FN6O2/c1-2-7-19-16-15(24(25)26)17(21-12-20-16)23-10-8-22(9-11-23)14-5-3-13(18)4-6-14/h3-6,12H,2,7-11H2,1H3,(H,19,20,21)
InChIKeyVUNVBYYDNKNQBY-UHFFFAOYSA-N
XLogP2.67
TPSA87.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.67
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-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine
CID 23487272
1-tert-butyl-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]hydrazine
CID 22537549
6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 22538518
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine
CID 23494713
N-[(4-fluorophenyl)methyl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 23490942
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
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
6-(4-methylazepan-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80816853
N-(1-adamantyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22525822
N-(2-bromophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22532219

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine?
The IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine (CID 23487425) is 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine is CCCNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-].
What is the InChIKey of 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine?
The InChIKey is VUNVBYYDNKNQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O2/c1-2-7-19-16-15(24(25)26)17(21-12-20-16)23-10-8-22(9-11-23)14-5-3-13(18)4-6-14/h3-6,12H,2,7-11H2,1H3,(H,19,20,21).
What are the key properties of 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine?
6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine has a molecular weight of 360.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine is sourced from PubChem (CID 23487425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).