1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol

C15H19N3O3 — CID 134254351

IUPAC1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol
SMILESCc1cc(C)c(OCC(O)COc2cncc(C)n2)cn1
InChIInChI=1S/C15H19N3O3/c1-10-4-11(2)17-6-14(10)20-8-13(19)9-21-15-7-16-5-12(3)18-15/h4-7,13,19H,8-9H2,1-3H3
InChIKeyZOJIUIYBVBZILJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.62
Rot. Bonds6

About 1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol

1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol (PubChem CID 134254351) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol
PubChem CID134254351
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol
SMILESCc1cc(C)c(OCC(O)COc2cncc(C)n2)cn1
InChIInChI=1S/C15H19N3O3/c1-10-4-11(2)17-6-14(10)20-8-13(19)9-21-15-7-16-5-12(3)18-15/h4-7,13,19H,8-9H2,1-3H3
InChIKeyZOJIUIYBVBZILJ-UHFFFAOYSA-N
XLogP1.62
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol?
The IUPAC name of 1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol (CID 134254351) is 1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol.
What is the SMILES notation for 1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol?
The canonical SMILES for 1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol is Cc1cc(C)c(OCC(O)COc2cncc(C)n2)cn1.
What is the InChIKey of 1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol?
The InChIKey is ZOJIUIYBVBZILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-4-11(2)17-6-14(10)20-8-13(19)9-21-15-7-16-5-12(3)18-15/h4-7,13,19H,8-9H2,1-3H3.
What are the key properties of 1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol?
1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol has a molecular weight of 289.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethyl-3-pyridinyl)oxy]-3-(6-methylpyrazin-2-yl)oxypropan-2-ol is sourced from PubChem (CID 134254351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).