2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine

C18H19N7O2 — CID 22528078

IUPAC2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
SMILESCN(C)Nc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C18H19N7O2/c1-23(2)21-17-16(25(26)27)18(20-13-19-17)22-24(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3,(H2,19,20,21,22)
InChIKeyFTNGCNNPZKGNSH-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.44
Rot. Bonds7

About 2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine

2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine (PubChem CID 22528078) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine.

Molecular Properties

Compound Name2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
PubChem CID22528078
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
SMILESCN(C)Nc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C18H19N7O2/c1-23(2)21-17-16(25(26)27)18(20-13-19-17)22-24(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3,(H2,19,20,21,22)
InChIKeyFTNGCNNPZKGNSH-UHFFFAOYSA-N
XLogP3.44
TPSA99.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.44
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

N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23478725
N-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23488128
N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23488119
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
4-(2,2-dimethylhydrazinyl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 19145545
6-(2,2-diphenylhydrazinyl)-5-nitro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 23484207
N-(5-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23485908
N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23485066
1,1-dimethyl-2-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)hydrazine
CID 22528107
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
CID 22530676
2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 23489744

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine?
The IUPAC name of 2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine (CID 22528078) is 2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine.
What is the SMILES notation for 2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine?
The canonical SMILES for 2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine is CN(C)Nc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine?
The InChIKey is FTNGCNNPZKGNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-23(2)21-17-16(25(26)27)18(20-13-19-17)22-24(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine?
2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine has a molecular weight of 365.40 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine is sourced from PubChem (CID 22528078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).