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

C23H20N6O2 — CID 23488128

IUPACN-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NCc2ccccc2)ncnc1NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N6O2/c30-29(31)21-22(24-16-18-10-4-1-5-11-18)25-17-26-23(21)27-28(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H,16H2,(H2,24,25,26,27)
InChIKeyVUVJGPMVHBWWBT-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.16
Rot. Bonds8

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

N-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine (PubChem CID 23488128) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
PubChem CID23488128
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC NameN-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NCc2ccccc2)ncnc1NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N6O2/c30-29(31)21-22(24-16-18-10-4-1-5-11-18)25-17-26-23(21)27-28(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H,16H2,(H2,24,25,26,27)
InChIKeyVUVJGPMVHBWWBT-UHFFFAOYSA-N
XLogP5.16
TPSA96.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.16
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-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23488119
2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 22528078
N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23478725
4-N-benzyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487265
4-N-methyl-6-N-[(4-methylphenyl)methyl]-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22526966
6-(2,2-diphenylhydrazinyl)-5-nitro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 23484207
N-(4-bromo-2-fluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22530710
6-N-[(4-methylphenyl)methyl]-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22531801
6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine
CID 22530658
N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22530733
N-[4-[[6-(benzylamino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 23488211
6-N-benzyl-4-N-(2-methoxy-5-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23480318

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine (CID 23488128) is N-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(NCc2ccccc2)ncnc1NN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
The InChIKey is VUVJGPMVHBWWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c30-29(31)21-22(24-16-18-10-4-1-5-11-18)25-17-26-23(21)27-28(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H,16H2,(H2,24,25,26,27).
What are the key properties of N-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
N-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine has a molecular weight of 412.45 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23488128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).