[4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine

C11H11N5O2 — CID 82192470

IUPAC[4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine
SMILESCc1cc(-c2cccc([N+](=O)[O-])c2)nc(NN)n1
InChIInChI=1S/C11H11N5O2/c1-7-5-10(14-11(13-7)15-12)8-3-2-4-9(6-8)16(17)18/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyLFLLBEAYOGPFMO-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.65
Rot. Bonds3

About [4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine

[4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine (PubChem CID 82192470) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is [4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine
PubChem CID82192470
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name[4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine
SMILESCc1cc(-c2cccc([N+](=O)[O-])c2)nc(NN)n1
InChIInChI=1S/C11H11N5O2/c1-7-5-10(14-11(13-7)15-12)8-3-2-4-9(6-8)16(17)18/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyLFLLBEAYOGPFMO-UHFFFAOYSA-N
XLogP1.65
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine 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

2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
2,4,6-trimethyl-3-(3-nitrophenyl)pyridine
CID 141175511
[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920854
N-(4-methyl-6-phenylpyrimidin-2-yl)-6-nitro-1H-benzimidazol-2-amine
CID 51059485
1,4-dimethyl-2-(3-nitrophenyl)imidazole
CID 174565698
2-tert-butyl-6-(3-nitrophenyl)pyrimidin-4-amine
CID 80951953
6-methyl-2-(3-nitrophenyl)pyrimidine-4-carbaldehyde
CID 62742267
ethyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate
CID 10423662
2-N-tert-butyl-6-hydrazinyl-4-N-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
CID 4022449
[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methanethiol
CID 82453456
hydrazine;bis((3-nitrophenyl)hydrazine);hydrate
CID 158997537
(4-methyl-6-naphthalen-1-ylpyrimidin-2-yl)hydrazine
CID 116897194

Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine (CID 82192470) is [4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine is Cc1cc(-c2cccc([N+](=O)[O-])c2)nc(NN)n1.
What is the InChIKey of [4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine?
The InChIKey is LFLLBEAYOGPFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-7-5-10(14-11(13-7)15-12)8-3-2-4-9(6-8)16(17)18/h2-6H,12H2,1H3,(H,13,14,15).
What are the key properties of [4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine?
[4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine has a molecular weight of 245.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 82192470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).