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

C16H20F2N2O2 — CID 69043559

IUPAC(2S,5R)-2-[(3,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H20F2N2O2/c1-9(2)14-16(22-4)19-13(15(20-14)21-3)7-10-5-11(17)8-12(18)6-10/h5-6,8-9,13-14H,7H2,1-4H3/t13-,14+/m0/s1
InChIKeyUDPFBQCNKKCDBM-UONOGXRCSA-N
MW310.34 g/mol
LogP3.00
Rot. Bonds3

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

(2S,5R)-2-[(3,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine (PubChem CID 69043559) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is (2S,5R)-2-[(3,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine.

Molecular Properties

Compound Name(2S,5R)-2-[(3,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
PubChem CID69043559
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name(2S,5R)-2-[(3,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H20F2N2O2/c1-9(2)14-16(22-4)19-13(15(20-14)21-3)7-10-5-11(17)8-12(18)6-10/h5-6,8-9,13-14H,7H2,1-4H3/t13-,14+/m0/s1
InChIKeyUDPFBQCNKKCDBM-UONOGXRCSA-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 (2S,5R)-2-[(3,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
The IUPAC name of (2S,5R)-2-[(3,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine (CID 69043559) is (2S,5R)-2-[(3,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine.
What is the SMILES notation for (2S,5R)-2-[(3,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
The canonical SMILES for (2S,5R)-2-[(3,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine is COC1=N[C@H](C(C)C)C(OC)=N[C@H]1Cc1cc(F)cc(F)c1.
What is the InChIKey of (2S,5R)-2-[(3,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
The InChIKey is UDPFBQCNKKCDBM-UONOGXRCSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-9(2)14-16(22-4)19-13(15(20-14)21-3)7-10-5-11(17)8-12(18)6-10/h5-6,8-9,13-14H,7H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of (2S,5R)-2-[(3,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine?
(2S,5R)-2-[(3,5-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 (2S,5R)-2-[(3,5-difluorophenyl)methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine is sourced from PubChem (CID 69043559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).