4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol

C15H18N2O2 — CID 117062145

IUPAC4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol
SMILESCc1cc(C#CC(C)(C)O)nc(C#CC(C)(C)O)n1
InChIInChI=1S/C15H18N2O2/c1-11-10-12(6-8-14(2,3)18)17-13(16-11)7-9-15(4,5)19/h10,18-19H,1-5H3
InChIKeyDREZNBHNRIAAKD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.03
Rot. Bonds

About 4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol

4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol (PubChem CID 117062145) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol
PubChem CID117062145
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol
SMILESCc1cc(C#CC(C)(C)O)nc(C#CC(C)(C)O)n1
InChIInChI=1S/C15H18N2O2/c1-11-10-12(6-8-14(2,3)18)17-13(16-11)7-9-15(4,5)19/h10,18-19H,1-5H3
InChIKeyDREZNBHNRIAAKD-UHFFFAOYSA-N
XLogP1.03
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol (CID 117062145) is 4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol is Cc1cc(C#CC(C)(C)O)nc(C#CC(C)(C)O)n1.
What is the InChIKey of 4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol?
The InChIKey is DREZNBHNRIAAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-10-12(6-8-14(2,3)18)17-13(16-11)7-9-15(4,5)19/h10,18-19H,1-5H3.
What are the key properties of 4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol?
4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 258.32 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 117062145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).