6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine

C16H16N6O2 — CID 22527503

IUPAC6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
SMILESCN(C)Nc1ncnc(Nc2cccc3ccccc23)c1[N+](=O)[O-]
InChIInChI=1S/C16H16N6O2/c1-21(2)20-16-14(22(23)24)15(17-10-18-16)19-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyCBVBCGKWHPXBQU-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.17
Rot. Bonds5

About 6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine

6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine (PubChem CID 22527503) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
PubChem CID22527503
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
SMILESCN(C)Nc1ncnc(Nc2cccc3ccccc23)c1[N+](=O)[O-]
InChIInChI=1S/C16H16N6O2/c1-21(2)20-16-14(22(23)24)15(17-10-18-16)19-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyCBVBCGKWHPXBQU-UHFFFAOYSA-N
XLogP3.17
TPSA96.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.17
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'}

Analyze 6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine
CID 22528153
6-N-naphthalen-1-yl-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527211
6-N-butyl-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine
CID 23486721
4-N-(4-methyl-2-pyridinyl)-6-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine
CID 23483758
methyl 2-[[6-(naphthalen-1-ylamino)-5-nitropyrimidin-4-yl]amino]benzoate
CID 22527508
4-N-(3,5-dichlorophenyl)-6-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine
CID 23483538
6-N-naphthalen-1-yl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 22527520
4-[[6-(naphthalen-1-ylamino)-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22527627
4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine
CID 22527544
2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 22528078
6-(4-ethylphenoxy)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 22527625
6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 23492258

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine (CID 22527503) is 6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine is CN(C)Nc1ncnc(Nc2cccc3ccccc23)c1[N+](=O)[O-].
What is the InChIKey of 6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine?
The InChIKey is CBVBCGKWHPXBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-21(2)20-16-14(22(23)24)15(17-10-18-16)19-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine?
6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine has a molecular weight of 324.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22527503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).