2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine

C16H13N5O2 — CID 3090119

IUPAC2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine
SMILESO=[N+]([O-])c1cnc(NN(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C16H13N5O2/c22-21(23)15-11-17-16(18-12-15)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H,(H,17,18,19)
InChIKeyICMVLUVYZZUSSI-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.55
Rot. Bonds5

About 2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine

2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine (PubChem CID 3090119) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine.

Molecular Properties

Compound Name2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine
PubChem CID3090119
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine
SMILESO=[N+]([O-])c1cnc(NN(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C16H13N5O2/c22-21(23)15-11-17-16(18-12-15)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H,(H,17,18,19)
InChIKeyICMVLUVYZZUSSI-UHFFFAOYSA-N
XLogP3.55
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(3-nitrophenyl)-1,1-diphenylhydrazine
CID 155797950
2-(2-nitrophenyl)-1,1-diphenylhydrazine
CID 23118944
2-chloro-1-(4-nitrophenyl)-1-phenylhydrazine
CID 88837156
1-(5-nitropyrimidin-2-yl)-3-phenylthiourea
CID 171396621
5-nitro-N-[1-(4-phenylphenyl)ethyl]pyrimidin-2-amine
CID 133467183
2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 22528078
N-naphthalen-2-yl-5-nitropyrimidin-2-amine
CID 2863534
4-[(5-nitropyrimidin-2-yl)amino]-2-phenylbutan-2-ol
CID 133495840
2-(4-methyl-2,6-dinitrophenyl)-1,1-diphenylhydrazine
CID 22895095
N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23478725
1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine
CID 23118903
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22530681

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine?
The IUPAC name of 2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine (CID 3090119) is 2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine.
What is the SMILES notation for 2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine?
The canonical SMILES for 2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine is O=[N+]([O-])c1cnc(NN(c2ccccc2)c2ccccc2)nc1.
What is the InChIKey of 2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine?
The InChIKey is ICMVLUVYZZUSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c22-21(23)15-11-17-16(18-12-15)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H,(H,17,18,19).
What are the key properties of 2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine?
2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine has a molecular weight of 307.31 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitropyrimidin-2-yl)-1,1-diphenylhydrazine is sourced from PubChem (CID 3090119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).