2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine

C17H17F3N6O2 — CID 139359156

IUPAC2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCOCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C17H17F3N6O2/c1-27-10-11-8-25(4-5-28-11)14-2-3-21-16(24-14)12-6-23-15-7-22-13(9-26(12)15)17(18,19)20/h2-3,6-7,9,11H,4-5,8,10H2,1H3
InChIKeyUSCNKOKZSYGUEF-UHFFFAOYSA-N
MW394.36 g/mol
LogP2.06
Rot. Bonds4

About 2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine

2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 139359156) has the molecular formula C17H17F3N6O2 and a molecular weight of 394.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
PubChem CID139359156
Molecular FormulaC17H17F3N6O2
Molecular Weight394.36 g/mol
Exact Mass394.14
IUPAC Name2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
SMILESCOCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1
InChIInChI=1S/C17H17F3N6O2/c1-27-10-11-8-25(4-5-28-11)14-2-3-21-16(24-14)12-6-23-15-7-22-13(9-26(12)15)17(18,19)20/h2-3,6-7,9,11H,4-5,8,10H2,1H3
InChIKeyUSCNKOKZSYGUEF-UHFFFAOYSA-N
XLogP2.06
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine (CID 139359156) is 2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is COCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CCO1.
What is the InChIKey of 2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is USCNKOKZSYGUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O2/c1-27-10-11-8-25(4-5-28-11)14-2-3-21-16(24-14)12-6-23-15-7-22-13(9-26(12)15)17(18,19)20/h2-3,6-7,9,11H,4-5,8,10H2,1H3.
What are the key properties of 2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine?
2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 394.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 139359156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).