[6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine

C16H22N4O — CID 62251106

IUPAC[6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine
SMILESCOc1ccc(-c2nc(NN)cc(C(C)(C)C)n2)cc1C
InChIInChI=1S/C16H22N4O/c1-10-8-11(6-7-12(10)21-5)15-18-13(16(2,3)4)9-14(19-15)20-17/h6-9H,17H2,1-5H3,(H,18,19,20)
InChIKeyLGVAREJKQFGRQM-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.04
Rot. Bonds3

About [6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine

[6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine (PubChem CID 62251106) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine
PubChem CID62251106
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine
SMILESCOc1ccc(-c2nc(NN)cc(C(C)(C)C)n2)cc1C
InChIInChI=1S/C16H22N4O/c1-10-8-11(6-7-12(10)21-5)15-18-13(16(2,3)4)9-14(19-15)20-17/h6-9H,17H2,1-5H3,(H,18,19,20)
InChIKeyLGVAREJKQFGRQM-UHFFFAOYSA-N
XLogP3.04
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.04
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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Related Compounds

6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 62203294
[6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine
CID 65022279
[6-tert-butyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-yl]hydrazine
CID 113457290
[6-tert-butyl-2-[4-(difluoromethyl)phenyl]pyrimidin-4-yl]hydrazine
CID 115525374
3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol
CID 62250551
[6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 62252562
2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 62190799
[6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine
CID 62251619
(6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine
CID 62252923
[2-(3,4-dimethylphenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250169
[2-(4-bromo-2-methylphenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
CID 103083846
[2-(2-bromophenyl)-6-tert-butylpyrimidin-4-yl]hydrazine
CID 62251429

Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine (CID 62251106) is [6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine is COc1ccc(-c2nc(NN)cc(C(C)(C)C)n2)cc1C.
What is the InChIKey of [6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine?
The InChIKey is LGVAREJKQFGRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-8-11(6-7-12(10)21-5)15-18-13(16(2,3)4)9-14(19-15)20-17/h6-9H,17H2,1-5H3,(H,18,19,20).
What are the key properties of [6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine has a molecular weight of 286.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62251106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).