4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol

C19H40N2O4 — CID 145083504

IUPAC4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol
SMILESCC.CC.CC(C)(O)CCO.CC(C)(O)CCOc1cccc(N)n1
InChIInChI=1S/C10H16N2O2.C5H12O2.2C2H6/c1-10(2,13)6-7-14-9-5-3-4-8(11)12-9;1-5(2,7)3-4-6;2*1-2/h3-5,13H,6-7H2,1-2H3,(H2,11,12);6-7H,3-4H2,1-2H3;2*1-2H3
InChIKeyRWBSNGSHFFLZGZ-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.40
Rot. Bonds6

About 4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol

4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol (PubChem CID 145083504) has the molecular formula C19H40N2O4 and a molecular weight of 360.54 g/mol. Its IUPAC name is 4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol.

Molecular Properties

Compound Name4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol
PubChem CID145083504
Molecular FormulaC19H40N2O4
Molecular Weight360.54 g/mol
Exact Mass360.30
IUPAC Name4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol
SMILESCC.CC.CC(C)(O)CCO.CC(C)(O)CCOc1cccc(N)n1
InChIInChI=1S/C10H16N2O2.C5H12O2.2C2H6/c1-10(2,13)6-7-14-9-5-3-4-8(11)12-9;1-5(2,7)3-4-6;2*1-2/h3-5,13H,6-7H2,1-2H3,(H2,11,12);6-7H,3-4H2,1-2H3;2*1-2H3
InChIKeyRWBSNGSHFFLZGZ-UHFFFAOYSA-N
XLogP3.40
TPSA108.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol?
The IUPAC name of 4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol (CID 145083504) is 4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol.
What is the SMILES notation for 4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol?
The canonical SMILES for 4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol is CC.CC.CC(C)(O)CCO.CC(C)(O)CCOc1cccc(N)n1.
What is the InChIKey of 4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol?
The InChIKey is RWBSNGSHFFLZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.C5H12O2.2C2H6/c1-10(2,13)6-7-14-9-5-3-4-8(11)12-9;1-5(2,7)3-4-6;2*1-2/h3-5,13H,6-7H2,1-2H3,(H2,11,12);6-7H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of 4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol?
4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol has a molecular weight of 360.54 g/mol, XLogP of 3.40, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-2-pyridinyl)oxy]-2-methylbutan-2-ol;ethane;3-methylbutane-1,3-diol is sourced from PubChem (CID 145083504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).