pyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid

C19H21F3N6O4 — CID 155869271

IUPACpyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCOCC2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H20N6O2.C2HF3O2/c24-15(14-10-18-5-6-19-14)22-8-9-25-13-17(11-22)2-7-23(12-17)16-20-3-1-4-21-16;3-2(4,5)1(6)7/h1,3-6,10H,2,7-9,11-13H2;(H,6,7)
InChIKeyIHKIQWKYQASAOD-UHFFFAOYSA-N
MW454.41 g/mol
LogP1.27
Rot. Bonds2

About pyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid

pyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155869271) has the molecular formula C19H21F3N6O4 and a molecular weight of 454.41 g/mol. Its IUPAC name is pyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155869271
Molecular FormulaC19H21F3N6O4
Molecular Weight454.41 g/mol
Exact Mass454.16
IUPAC Namepyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCOCC2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H20N6O2.C2HF3O2/c24-15(14-10-18-5-6-19-14)22-8-9-25-13-17(11-22)2-7-23(12-17)16-20-3-1-4-21-16;3-2(4,5)1(6)7/h1,3-6,10H,2,7-9,11-13H2;(H,6,7)
InChIKeyIHKIQWKYQASAOD-UHFFFAOYSA-N
XLogP1.27
TPSA121.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze pyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

Pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone;2,2,2-trifluoroacetic acid
CID 118745302
[(3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155824813
Morpholin-4-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid
CID 155827827
[2-[(1-Methylimidazol-2-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155829435
[3-(Methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155833764
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155835264
(1-Methylimidazol-4-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155843483
[(3aR,8aR)-8a-(morpholine-4-carbonyl)-2-pyrimidin-2-yl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepin-5-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155847136
[(4aR,7aS)-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155847217
[3-[4-[Ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155852363
Pyrazin-2-yl-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155852888
Pyrazin-2-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155855445

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid (CID 155869271) is pyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cnccn1)N1CCOCC2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of pyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is IHKIQWKYQASAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2.C2HF3O2/c24-15(14-10-18-5-6-19-14)22-8-9-25-13-17(11-22)2-7-23(12-17)16-20-3-1-4-21-16;3-2(4,5)1(6)7/h1,3-6,10H,2,7-9,11-13H2;(H,6,7).
What are the key properties of pyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid?
pyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 454.41 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155869271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).