2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine

C14H20N2O4 — CID 135029947

IUPAC2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine
SMILESCc1nc([C@@H]2COCCO2)c(C)nc1[C@@H]1COCCO1
InChIInChI=1S/C14H20N2O4/c1-9-13(11-7-17-3-5-19-11)16-10(2)14(15-9)12-8-18-4-6-20-12/h11-12H,3-8H2,1-2H3/t11-,12-/m0/s1
InChIKeyVAFLLGCICKIXDJ-RYUDHWBXSA-N
MW280.32 g/mol
LogP1.27
Rot. Bonds2

About 2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine

2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine (PubChem CID 135029947) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine.

Molecular Properties

Compound Name2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine
PubChem CID135029947
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine
SMILESCc1nc([C@@H]2COCCO2)c(C)nc1[C@@H]1COCCO1
InChIInChI=1S/C14H20N2O4/c1-9-13(11-7-17-3-5-19-11)16-10(2)14(15-9)12-8-18-4-6-20-12/h11-12H,3-8H2,1-2H3/t11-,12-/m0/s1
InChIKeyVAFLLGCICKIXDJ-RYUDHWBXSA-N
XLogP1.27
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine?
The IUPAC name of 2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine (CID 135029947) is 2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine.
What is the SMILES notation for 2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine?
The canonical SMILES for 2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine is Cc1nc([C@@H]2COCCO2)c(C)nc1[C@@H]1COCCO1.
What is the InChIKey of 2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine?
The InChIKey is VAFLLGCICKIXDJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-13(11-7-17-3-5-19-11)16-10(2)14(15-9)12-8-18-4-6-20-12/h11-12H,3-8H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of 2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine?
2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine has a molecular weight of 280.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(2R)-1,4-dioxan-2-yl]-3,6-dimethylpyrazine is sourced from PubChem (CID 135029947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).