(2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine

C18H26N2O3 — CID 101407871

IUPAC(2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine
SMILESCOC1=N[C@](C)(COCc2ccccc2)C(OC)=N[C@H]1C(C)C
InChIInChI=1S/C18H26N2O3/c1-13(2)15-16(21-4)20-18(3,17(19-15)22-5)12-23-11-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3/t15-,18+/m0/s1
InChIKeyCHYFPYYHWJTQBW-MAUKXSAKSA-N
MW318.42 g/mol
LogP3.09
Rot. Bonds5

About (2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine

(2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine (PubChem CID 101407871) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine.

Molecular Properties

Compound Name(2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine
PubChem CID101407871
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine
SMILESCOC1=N[C@](C)(COCc2ccccc2)C(OC)=N[C@H]1C(C)C
InChIInChI=1S/C18H26N2O3/c1-13(2)15-16(21-4)20-18(3,17(19-15)22-5)12-23-11-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3/t15-,18+/m0/s1
InChIKeyCHYFPYYHWJTQBW-MAUKXSAKSA-N
XLogP3.09
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine?
The IUPAC name of (2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine (CID 101407871) is (2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine.
What is the SMILES notation for (2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine?
The canonical SMILES for (2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine is COC1=N[C@](C)(COCc2ccccc2)C(OC)=N[C@H]1C(C)C.
What is the InChIKey of (2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine?
The InChIKey is CHYFPYYHWJTQBW-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)15-16(21-4)20-18(3,17(19-15)22-5)12-23-11-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3/t15-,18+/m0/s1.
What are the key properties of (2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine?
(2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine has a molecular weight of 318.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-3,6-dimethoxy-5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-2H-pyrazine is sourced from PubChem (CID 101407871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).