[2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine

C16H22N4O — CID 62321054

IUPAC[2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCOCc1cc(NN)nc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H22N4O/c1-16(2,3)12-7-5-11(6-8-12)15-18-13(10-21-4)9-14(19-15)20-17/h5-9H,10,17H2,1-4H3,(H,18,19,20)
InChIKeyLDQVGEJUXPLZTD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.87
Rot. Bonds4

About [2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine

[2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine (PubChem CID 62321054) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
PubChem CID62321054
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
SMILESCOCc1cc(NN)nc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H22N4O/c1-16(2,3)12-7-5-11(6-8-12)15-18-13(10-21-4)9-14(19-15)20-17/h5-9H,10,17H2,1-4H3,(H,18,19,20)
InChIKeyLDQVGEJUXPLZTD-UHFFFAOYSA-N
XLogP2.87
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine (CID 62321054) is [2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine is COCc1cc(NN)nc(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of [2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is LDQVGEJUXPLZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)12-7-5-11(6-8-12)15-18-13(10-21-4)9-14(19-15)20-17/h5-9H,10,17H2,1-4H3,(H,18,19,20).
What are the key properties of [2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine?
[2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 286.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62321054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).