(2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate

C12H17N3O3 — CID 113369215

IUPAC(2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate
SMILESCC1CC(OC(=O)c2nccnc2N)CC(C)O1
InChIInChI=1S/C12H17N3O3/c1-7-5-9(6-8(2)17-7)18-12(16)10-11(13)15-4-3-14-10/h3-4,7-9H,5-6H2,1-2H3,(H2,13,15)
InChIKeyBXZKIDQLGZYQEL-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.17
Rot. Bonds2

About (2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate

(2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate (PubChem CID 113369215) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name(2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate
PubChem CID113369215
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate
SMILESCC1CC(OC(=O)c2nccnc2N)CC(C)O1
InChIInChI=1S/C12H17N3O3/c1-7-5-9(6-8(2)17-7)18-12(16)10-11(13)15-4-3-14-10/h3-4,7-9H,5-6H2,1-2H3,(H2,13,15)
InChIKeyBXZKIDQLGZYQEL-UHFFFAOYSA-N
XLogP1.17
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate?
The IUPAC name of (2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate (CID 113369215) is (2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for (2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate?
The canonical SMILES for (2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate is CC1CC(OC(=O)c2nccnc2N)CC(C)O1.
What is the InChIKey of (2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate?
The InChIKey is BXZKIDQLGZYQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-5-9(6-8(2)17-7)18-12(16)10-11(13)15-4-3-14-10/h3-4,7-9H,5-6H2,1-2H3,(H2,13,15).
What are the key properties of (2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate?
(2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyloxan-4-yl) 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 113369215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).