[4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine

C13H16N4 — CID 116904155

IUPAC[4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine
SMILESCc1cc(C)c(-c2ccnc(NN)n2)cc1C
InChIInChI=1S/C13H16N4/c1-8-6-10(3)11(7-9(8)2)12-4-5-15-13(16-12)17-14/h4-7H,14H2,1-3H3,(H,15,16,17)
InChIKeyAEMNESADWQDAMZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.35
Rot. Bonds2

About [4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine

[4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine (PubChem CID 116904155) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is [4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine
PubChem CID116904155
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name[4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine
SMILESCc1cc(C)c(-c2ccnc(NN)n2)cc1C
InChIInChI=1S/C13H16N4/c1-8-6-10(3)11(7-9(8)2)12-4-5-15-13(16-12)17-14/h4-7H,14H2,1-3H3,(H,15,16,17)
InChIKeyAEMNESADWQDAMZ-UHFFFAOYSA-N
XLogP2.35
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(2,4,5-trimethylphenyl)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

[4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine
CID 95915885
[4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine
CID 116904156
N-methyl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 63550138
4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine
CID 102754134
4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine
CID 116900585
4-(4,5-dimethoxy-2-methylphenyl)-2-methylpyrimidine
CID 116903924
[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]hydrazine
CID 116904148
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930313
[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine
CID 116904113
N-ethyl-2-(2,4,5-trimethylphenyl)pyridin-4-amine
CID 102824812
3-(2-hydrazinylpyrimidin-4-yl)benzoic acid
CID 127031221
2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol
CID 91294272

Frequently Asked Questions

What is the IUPAC name of [4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine (CID 116904155) is [4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine is Cc1cc(C)c(-c2ccnc(NN)n2)cc1C.
What is the InChIKey of [4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine?
The InChIKey is AEMNESADWQDAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-8-6-10(3)11(7-9(8)2)12-4-5-15-13(16-12)17-14/h4-7H,14H2,1-3H3,(H,15,16,17).
What are the key properties of [4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine?
[4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine has a molecular weight of 228.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 116904155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).