N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine

C17H19F3N4O — CID 134447217

IUPACN-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESC[C@@]1(Cc2ccc(Nc3cnc(C(F)(F)F)cn3)cc2)CNCCO1
InChIInChI=1S/C17H19F3N4O/c1-16(11-21-6-7-25-16)8-12-2-4-13(5-3-12)24-15-10-22-14(9-23-15)17(18,19)20/h2-5,9-10,21H,6-8,11H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyOGVCHVGETHIAJH-MRXNPFEDSA-N
MW352.36 g/mol
LogP3.16
Rot. Bonds4

About N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine

N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 134447217) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID134447217
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC NameN-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESC[C@@]1(Cc2ccc(Nc3cnc(C(F)(F)F)cn3)cc2)CNCCO1
InChIInChI=1S/C17H19F3N4O/c1-16(11-21-6-7-25-16)8-12-2-4-13(5-3-12)24-15-10-22-14(9-23-15)17(18,19)20/h2-5,9-10,21H,6-8,11H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyOGVCHVGETHIAJH-MRXNPFEDSA-N
XLogP3.16
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine (CID 134447217) is N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine is C[C@@]1(Cc2ccc(Nc3cnc(C(F)(F)F)cn3)cc2)CNCCO1.
What is the InChIKey of N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is OGVCHVGETHIAJH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-16(11-21-6-7-25-16)8-12-2-4-13(5-3-12)24-15-10-22-14(9-23-15)17(18,19)20/h2-5,9-10,21H,6-8,11H2,1H3,(H,23,24)/t16-/m1/s1.
What are the key properties of N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine?
N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 352.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 134447217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).