(2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine

C16H20F2N2O2 — CID 11232137

IUPAC(2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](Cc2cc(F)ccc2F)C(OC)=N[C@H]1C(C)C
InChIInChI=1S/C16H20F2N2O2/c1-9(2)14-16(22-4)19-13(15(20-14)21-3)8-10-7-11(17)5-6-12(10)18/h5-7,9,13-14H,8H2,1-4H3/t13-,14+/m1/s1
InChIKeyKEWQZYMJJTXOIE-KGLIPLIRSA-N
MW310.34 g/mol
LogP3.00
Rot. Bonds3

About (2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine

(2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine (PubChem CID 11232137) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is (2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
PubChem CID11232137
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name(2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](Cc2cc(F)ccc2F)C(OC)=N[C@H]1C(C)C
InChIInChI=1S/C16H20F2N2O2/c1-9(2)14-16(22-4)19-13(15(20-14)21-3)8-10-7-11(17)5-6-12(10)18/h5-7,9,13-14H,8H2,1-4H3/t13-,14+/m1/s1
InChIKeyKEWQZYMJJTXOIE-KGLIPLIRSA-N
XLogP3.00
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of (2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine (CID 11232137) is (2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for (2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for (2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine is COC1=N[C@H](Cc2cc(F)ccc2F)C(OC)=N[C@H]1C(C)C.
What is the InChIKey of (2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is KEWQZYMJJTXOIE-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-9(2)14-16(22-4)19-13(15(20-14)21-3)8-10-7-11(17)5-6-12(10)18/h5-7,9,13-14H,8H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of (2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
(2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine has a molecular weight of 310.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-[(2,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 11232137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).