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

C23H20N6O3 — CID 22530658

IUPAC6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc(NN(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C23H20N6O3/c1-32-20-14-12-17(13-15-20)26-22-21(29(30)31)23(25-16-24-22)27-28(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3,(H2,24,25,26,27)
InChIKeyGEKSTESZEAPONJ-UHFFFAOYSA-N
MW428.45 g/mol
LogP5.30
Rot. Bonds8

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

6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine (PubChem CID 22530658) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is 6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine
PubChem CID22530658
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC Name6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc(NN(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C23H20N6O3/c1-32-20-14-12-17(13-15-20)26-22-21(29(30)31)23(25-16-24-22)27-28(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3,(H2,24,25,26,27)
InChIKeyGEKSTESZEAPONJ-UHFFFAOYSA-N
XLogP5.30
TPSA105.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.30
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-N-(4-methoxyphenyl)-4-N-methyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22526954
4-N-(4-methoxyphenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486954
4-N-benzhydryl-6-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 22533392
N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22530733
2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 22528078
methyl 2-[[6-(4-methoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoate
CID 22528783
5-nitro-4-N,6-N-bis(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 22538995
6-N-ethyl-4-N-(4-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23487153
5-nitro-4-N-(4-phenoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 22531876
4-N-(2-methoxyphenyl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 22532353
1-[4-[[6-(4-methoxyanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 22533383
6-N-(4-methoxyphenyl)-4-N-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22527101

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine (CID 22530658) is 6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine is COc1ccc(Nc2ncnc(NN(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1.
What is the InChIKey of 6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine?
The InChIKey is GEKSTESZEAPONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3/c1-32-20-14-12-17(13-15-20)26-22-21(29(30)31)23(25-16-24-22)27-28(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3,(H2,24,25,26,27).
What are the key properties of 6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine?
6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine has a molecular weight of 428.45 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22530658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).