3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol

C14H18N4O — CID 62250551

IUPAC3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol
SMILESCC(C)(C)c1cc(NN)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C14H18N4O/c1-14(2,3)11-8-12(18-15)17-13(16-11)9-5-4-6-10(19)7-9/h4-8,19H,15H2,1-3H3,(H,16,17,18)
InChIKeyNHTCFKUCZGANGM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.43
Rot. Bonds2

About 3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol

3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol (PubChem CID 62250551) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol
PubChem CID62250551
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol
SMILESCC(C)(C)c1cc(NN)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C14H18N4O/c1-14(2,3)11-8-12(18-15)17-13(16-11)9-5-4-6-10(19)7-9/h4-8,19H,15H2,1-3H3,(H,16,17,18)
InChIKeyNHTCFKUCZGANGM-UHFFFAOYSA-N
XLogP2.43
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.43
H-Bond Donors ≤ 53
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 3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol?
The IUPAC name of 3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol (CID 62250551) is 3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol?
The canonical SMILES for 3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol is CC(C)(C)c1cc(NN)nc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol?
The InChIKey is NHTCFKUCZGANGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,3)11-8-12(18-15)17-13(16-11)9-5-4-6-10(19)7-9/h4-8,19H,15H2,1-3H3,(H,16,17,18).
What are the key properties of 3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol?
3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol has a molecular weight of 258.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol is sourced from PubChem (CID 62250551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).