N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine

C22H16F2N6O2 — CID 22530733

IUPACN-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(F)c(F)c2)ncnc1NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16F2N6O2/c23-18-12-11-15(13-19(18)24)27-21-20(30(31)32)22(26-14-25-21)28-29(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H2,25,26,27,28)
InChIKeyZUCJGTHMTUVTDF-UHFFFAOYSA-N
MW434.41 g/mol
LogP5.57
Rot. Bonds7

About N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine

N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine (PubChem CID 22530733) has the molecular formula C22H16F2N6O2 and a molecular weight of 434.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
PubChem CID22530733
Molecular FormulaC22H16F2N6O2
Molecular Weight434.41 g/mol
Exact Mass434.13
IUPAC NameN-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(F)c(F)c2)ncnc1NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16F2N6O2/c23-18-12-11-15(13-19(18)24)27-21-20(30(31)32)22(26-14-25-21)28-29(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H2,25,26,27,28)
InChIKeyZUCJGTHMTUVTDF-UHFFFAOYSA-N
XLogP5.57
TPSA96.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.41
LogP ≤ 55.57
H-Bond Donors ≤ 52
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

N-(4-bromo-2-fluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22530710
6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine
CID 22530658
2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 22528078
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22532574
4-N-(3-chloro-4-fluorophenyl)-6-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22537882
N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23485066
6-N-(3,4-difluorophenyl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 22528316
N-(5-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23485908
4-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 2960519
6-N-(3,4-difluorophenyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 23487631
4-N-(3,4-difluorophenyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-4,6-diamine
CID 22530604
6-(2,2-diphenylhydrazinyl)-5-nitro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 23484207

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine (CID 22530733) is N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(Nc2ccc(F)c(F)c2)ncnc1NN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
The InChIKey is ZUCJGTHMTUVTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O2/c23-18-12-11-15(13-19(18)24)27-21-20(30(31)32)22(26-14-25-21)28-29(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H2,25,26,27,28).
What are the key properties of N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine has a molecular weight of 434.41 g/mol, XLogP of 5.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22530733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).