1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol

C14H25N5O — CID 102971936

IUPAC1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2cc(NN)nc(C(C)(C)C)n2)CC1O
InChIInChI=1S/C14H25N5O/c1-9-5-6-19(8-10(9)20)12-7-11(18-15)16-13(17-12)14(2,3)4/h7,9-10,20H,5-6,8,15H2,1-4H3,(H,16,17,18)
InChIKeyAYGIXXOXDGRMJB-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.27
Rot. Bonds2

About 1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol

1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol (PubChem CID 102971936) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol
PubChem CID102971936
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2cc(NN)nc(C(C)(C)C)n2)CC1O
InChIInChI=1S/C14H25N5O/c1-9-5-6-19(8-10(9)20)12-7-11(18-15)16-13(17-12)14(2,3)4/h7,9-10,20H,5-6,8,15H2,1-4H3,(H,16,17,18)
InChIKeyAYGIXXOXDGRMJB-UHFFFAOYSA-N
XLogP1.27
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol (CID 102971936) is 1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol is CC1CCN(c2cc(NN)nc(C(C)(C)C)n2)CC1O.
What is the InChIKey of 1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
The InChIKey is AYGIXXOXDGRMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-9-5-6-19(8-10(9)20)12-7-11(18-15)16-13(17-12)14(2,3)4/h7,9-10,20H,5-6,8,15H2,1-4H3,(H,16,17,18).
What are the key properties of 1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol?
1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol has a molecular weight of 279.39 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 102971936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).