[2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine

C13H16N4 — CID 62250169

IUPAC[2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C13H16N4/c1-8-4-5-11(6-9(8)2)13-15-10(3)7-12(16-13)17-14/h4-7H,14H2,1-3H3,(H,15,16,17)
InChIKeyQOWSMOACBJSCSE-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.35
Rot. Bonds2

About [2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine

[2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 62250169) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine
PubChem CID62250169
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name[2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C13H16N4/c1-8-4-5-11(6-9(8)2)13-15-10(3)7-12(16-13)17-14/h4-7H,14H2,1-3H3,(H,15,16,17)
InChIKeyQOWSMOACBJSCSE-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'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine (CID 62250169) is [2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine is Cc1cc(NN)nc(-c2ccc(C)c(C)c2)n1.
What is the InChIKey of [2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is QOWSMOACBJSCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-8-4-5-11(6-9(8)2)13-15-10(3)7-12(16-13)17-14/h4-7H,14H2,1-3H3,(H,15,16,17).
What are the key properties of [2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine?
[2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-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 [2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62250169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).