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

C9H16N2O2 — CID 736065

IUPAC(2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@@H](C(C)C)C(OC)=NC1
InChIInChI=1S/C9H16N2O2/c1-6(2)8-9(13-4)10-5-7(11-8)12-3/h6,8H,5H2,1-4H3/t8-/m0/s1
InChIKeyFCFWEOGTZZPCTO-QMMMGPOBSA-N
MW184.24 g/mol
LogP1.11
Rot. Bonds1

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

(2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine (PubChem CID 736065) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine
PubChem CID736065
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@@H](C(C)C)C(OC)=NC1
InChIInChI=1S/C9H16N2O2/c1-6(2)8-9(13-4)10-5-7(11-8)12-3/h6,8H,5H2,1-4H3/t8-/m0/s1
InChIKeyFCFWEOGTZZPCTO-QMMMGPOBSA-N
XLogP1.11
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of (2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine (CID 736065) is (2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for (2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for (2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine is COC1=N[C@@H](C(C)C)C(OC)=NC1.
What is the InChIKey of (2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is FCFWEOGTZZPCTO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(2)8-9(13-4)10-5-7(11-8)12-3/h6,8H,5H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine?
(2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 184.24 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 736065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).