5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine

C22H20F4N4O — CID 90314146

IUPAC5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3CN3CCOCC3)cc2F)cn1
InChIInChI=1S/C22H20F4N4O/c23-19-10-14(1-3-18(19)20-11-29-21(27)12-28-20)17-4-2-16(22(24,25)26)9-15(17)13-30-5-7-31-8-6-30/h1-4,9-12H,5-8,13H2,(H2,27,29)
InChIKeyFCAXUQUBARVPCM-UHFFFAOYSA-N
MW432.42 g/mol
LogP4.38
Rot. Bonds4

About 5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine

5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine (PubChem CID 90314146) has the molecular formula C22H20F4N4O and a molecular weight of 432.42 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine
PubChem CID90314146
Molecular FormulaC22H20F4N4O
Molecular Weight432.42 g/mol
Exact Mass432.16
IUPAC Name5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3CN3CCOCC3)cc2F)cn1
InChIInChI=1S/C22H20F4N4O/c23-19-10-14(1-3-18(19)20-11-29-21(27)12-28-20)17-4-2-16(22(24,25)26)9-15(17)13-30-5-7-31-8-6-30/h1-4,9-12H,5-8,13H2,(H2,27,29)
InChIKeyFCAXUQUBARVPCM-UHFFFAOYSA-N
XLogP4.38
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine (CID 90314146) is 5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3CN3CCOCC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine?
The InChIKey is FCAXUQUBARVPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O/c23-19-10-14(1-3-18(19)20-11-29-21(27)12-28-20)17-4-2-16(22(24,25)26)9-15(17)13-30-5-7-31-8-6-30/h1-4,9-12H,5-8,13H2,(H2,27,29).
What are the key properties of 5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine?
5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine has a molecular weight of 432.42 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 90314146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).