(5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine

C10H18N2O2 — CID 13049214

IUPAC(5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@@H](C(C)C)C(OC)=NC1C
InChIInChI=1S/C10H18N2O2/c1-6(2)8-10(14-5)11-7(3)9(12-8)13-4/h6-8H,1-5H3/t7?,8-/m0/s1
InChIKeyAGSVBAIKOLJRNR-MQWKRIRWSA-N
MW198.27 g/mol
LogP1.50
Rot. Bonds1

About (5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine

(5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine (PubChem CID 13049214) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine
PubChem CID13049214
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@@H](C(C)C)C(OC)=NC1C
InChIInChI=1S/C10H18N2O2/c1-6(2)8-10(14-5)11-7(3)9(12-8)13-4/h6-8H,1-5H3/t7?,8-/m0/s1
InChIKeyAGSVBAIKOLJRNR-MQWKRIRWSA-N
XLogP1.50
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of (5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine (CID 13049214) is (5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for (5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for (5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine is COC1=N[C@@H](C(C)C)C(OC)=NC1C.
What is the InChIKey of (5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is AGSVBAIKOLJRNR-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6(2)8-10(14-5)11-7(3)9(12-8)13-4/h6-8H,1-5H3/t7?,8-/m0/s1.
What are the key properties of (5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine?
(5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 198.27 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,6-dimethoxy-2-methyl-5-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 13049214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).