6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine

C14H15FN6O2 — CID 2959623

IUPAC6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
SMILESNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H15FN6O2/c15-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14-12(21(22)23)13(16)17-9-18-14/h1-4,9H,5-8H2,(H2,16,17,18)
InChIKeyPEMWNMQNBLUTLO-UHFFFAOYSA-N
MW318.31 g/mol
LogP1.43
Rot. Bonds3

About 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine

6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine (PubChem CID 2959623) has the molecular formula C14H15FN6O2 and a molecular weight of 318.31 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
PubChem CID2959623
Molecular FormulaC14H15FN6O2
Molecular Weight318.31 g/mol
Exact Mass318.12
IUPAC Name6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
SMILESNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H15FN6O2/c15-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14-12(21(22)23)13(16)17-9-18-14/h1-4,9H,5-8H2,(H2,16,17,18)
InChIKeyPEMWNMQNBLUTLO-UHFFFAOYSA-N
XLogP1.43
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.43
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

1-[4-[4-(6-amino-5-nitropyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 2960342
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine
CID 22538453
1-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 22538510
6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19137206
4-(4-benzhydrylpiperazin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine
CID 23491654
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-propylpyrimidin-4-amine
CID 23487425
5-nitro-4,6-bis(4-phenylpiperazin-1-yl)pyrimidine
CID 23490429
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)-5-nitropyrimidin-4-amine
CID 22532903
4-(4-chlorophenyl)sulfanyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine
CID 23488613
2-[cyanomethyl-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]acetonitrile
CID 23493399
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-nitropyrimidin-4-amine?
The IUPAC name of 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine (CID 2959623) is 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine is Nc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-].
What is the InChIKey of 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine?
The InChIKey is PEMWNMQNBLUTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6O2/c15-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14-12(21(22)23)13(16)17-9-18-14/h1-4,9H,5-8H2,(H2,16,17,18).
What are the key properties of 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine?
6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine has a molecular weight of 318.31 g/mol, XLogP of 1.43, 3 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-nitropyrimidin-4-amine is sourced from PubChem (CID 2959623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).