[2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine

C14H18N4 — CID 62251070

IUPAC[2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1ccccc1-c1nc(NN)cc(C(C)C)n1
InChIInChI=1S/C14H18N4/c1-9(2)12-8-13(18-15)17-14(16-12)11-7-5-4-6-10(11)3/h4-9H,15H2,1-3H3,(H,16,17,18)
InChIKeyVNRZDEIUUBIKEK-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.86
Rot. Bonds3

About [2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine

[2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 62251070) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is [2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID62251070
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name[2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1ccccc1-c1nc(NN)cc(C(C)C)n1
InChIInChI=1S/C14H18N4/c1-9(2)12-8-13(18-15)17-14(16-12)11-7-5-4-6-10(11)3/h4-9H,15H2,1-3H3,(H,16,17,18)
InChIKeyVNRZDEIUUBIKEK-UHFFFAOYSA-N
XLogP2.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.86
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-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine (CID 62251070) is [2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1ccccc1-c1nc(NN)cc(C(C)C)n1.
What is the InChIKey of [2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is VNRZDEIUUBIKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9(2)12-8-13(18-15)17-14(16-12)11-7-5-4-6-10(11)3/h4-9H,15H2,1-3H3,(H,16,17,18).
What are the key properties of [2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
[2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 242.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62251070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).