4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine

C24H20FN5O3 — CID 23482308

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine
SMILESO=[N+]([O-])c1c(Oc2ccc3ccccc3c2)ncnc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H20FN5O3/c25-19-6-8-20(9-7-19)28-11-13-29(14-12-28)23-22(30(31)32)24(27-16-26-23)33-21-10-5-17-3-1-2-4-18(17)15-21/h1-10,15-16H,11-14H2
InChIKeyRWAHDKGVPGLXDK-UHFFFAOYSA-N
MW445.45 g/mol
LogP4.80
Rot. Bonds5

About 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine

4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine (PubChem CID 23482308) has the molecular formula C24H20FN5O3 and a molecular weight of 445.45 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine
PubChem CID23482308
Molecular FormulaC24H20FN5O3
Molecular Weight445.45 g/mol
Exact Mass445.16
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine
SMILESO=[N+]([O-])c1c(Oc2ccc3ccccc3c2)ncnc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H20FN5O3/c25-19-6-8-20(9-7-19)28-11-13-29(14-12-28)23-22(30(31)32)24(27-16-26-23)33-21-10-5-17-3-1-2-4-18(17)15-21/h1-10,15-16H,11-14H2
InChIKeyRWAHDKGVPGLXDK-UHFFFAOYSA-N
XLogP4.80
TPSA84.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
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

4-(4-methylpiperazin-1-yl)-6-naphthalen-2-yloxy-5-nitropyrimidine
CID 23482158
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine
CID 22538453
6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 2959623
4-(4-benzhydrylpiperazin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine
CID 23491654
4-(4-methoxyphenoxy)-5-nitro-6-pyrrolidin-1-ylpyrimidine
CID 23489310
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine
CID 19152575
5-nitro-4,6-bis(4-phenylpiperazin-1-yl)pyrimidine
CID 23490429
4-(4-methylphenoxy)-6-naphthalen-2-yloxy-5-nitropyrimidine
CID 23482286
4-(3,5-dimethylphenoxy)-6-naphthalen-2-yloxy-5-nitropyrimidine
CID 23479109
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine
CID 23494713
8-[6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxyquinoline
CID 23490992
N-[(4-fluorophenyl)methyl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 23490942

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine (CID 23482308) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine is O=[N+]([O-])c1c(Oc2ccc3ccccc3c2)ncnc1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine?
The InChIKey is RWAHDKGVPGLXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3/c25-19-6-8-20(9-7-19)28-11-13-29(14-12-28)23-22(30(31)32)24(27-16-26-23)33-21-10-5-17-3-1-2-4-18(17)15-21/h1-10,15-16H,11-14H2.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine?
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine has a molecular weight of 445.45 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-naphthalen-2-yloxy-5-nitropyrimidine is sourced from PubChem (CID 23482308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).