(2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine

C16H18FN3O2 — CID 124972882

IUPAC(2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
SMILESCOc1cccc(F)c1CN1CCO[C@H](c2cnccn2)C1
InChIInChI=1S/C16H18FN3O2/c1-21-15-4-2-3-13(17)12(15)10-20-7-8-22-16(11-20)14-9-18-5-6-19-14/h2-6,9,16H,7-8,10-11H2,1H3/t16-/m0/s1
InChIKeyKGMXTLRXEJXXPK-INIZCTEOSA-N
MW303.34 g/mol
LogP2.20
Rot. Bonds4

About (2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine

(2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine (PubChem CID 124972882) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is (2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
PubChem CID124972882
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name(2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
SMILESCOc1cccc(F)c1CN1CCO[C@H](c2cnccn2)C1
InChIInChI=1S/C16H18FN3O2/c1-21-15-4-2-3-13(17)12(15)10-20-7-8-22-16(11-20)14-9-18-5-6-19-14/h2-6,9,16H,7-8,10-11H2,1H3/t16-/m0/s1
InChIKeyKGMXTLRXEJXXPK-INIZCTEOSA-N
XLogP2.20
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[(2-methoxynaphthalen-1-yl)methyl]-2-pyrazin-2-ylmorpholine
CID 124954317
6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251771
4-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylmorpholine
CID 110103190
2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 124941248
(2-methoxyphenyl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
CID 127246249
6-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-2-amine
CID 110112505
4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 127246320
(2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 124951754
2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine
CID 110218627
4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 110218665
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 92600896
(2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine
CID 95842105

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine?
The IUPAC name of (2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine (CID 124972882) is (2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine.
What is the SMILES notation for (2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine?
The canonical SMILES for (2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine is COc1cccc(F)c1CN1CCO[C@H](c2cnccn2)C1.
What is the InChIKey of (2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine?
The InChIKey is KGMXTLRXEJXXPK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-21-15-4-2-3-13(17)12(15)10-20-7-8-22-16(11-20)14-9-18-5-6-19-14/h2-6,9,16H,7-8,10-11H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine?
(2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine has a molecular weight of 303.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine is sourced from PubChem (CID 124972882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).