2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine

C13H21N3O3 — CID 128978128

IUPAC2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
SMILESCCOc1cncc(N2C[C@H](OC)C[C@H]2COC)n1
InChIInChI=1S/C13H21N3O3/c1-4-19-13-7-14-6-12(15-13)16-8-11(18-3)5-10(16)9-17-2/h6-7,10-11H,4-5,8-9H2,1-3H3/t10-,11+/m0/s1
InChIKeySWVZMQLYDZJGJM-WDEREUQCSA-N
MW267.33 g/mol
LogP1.12
Rot. Bonds6

About 2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine

2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine (PubChem CID 128978128) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
PubChem CID128978128
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
SMILESCCOc1cncc(N2C[C@H](OC)C[C@H]2COC)n1
InChIInChI=1S/C13H21N3O3/c1-4-19-13-7-14-6-12(15-13)16-8-11(18-3)5-10(16)9-17-2/h6-7,10-11H,4-5,8-9H2,1-3H3/t10-,11+/m0/s1
InChIKeySWVZMQLYDZJGJM-WDEREUQCSA-N
XLogP1.12
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine?
The IUPAC name of 2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine (CID 128978128) is 2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine.
What is the SMILES notation for 2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine?
The canonical SMILES for 2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine is CCOc1cncc(N2C[C@H](OC)C[C@H]2COC)n1.
What is the InChIKey of 2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine?
The InChIKey is SWVZMQLYDZJGJM-WDEREUQCSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-19-13-7-14-6-12(15-13)16-8-11(18-3)5-10(16)9-17-2/h6-7,10-11H,4-5,8-9H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of 2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine?
2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine has a molecular weight of 267.33 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine is sourced from PubChem (CID 128978128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).