N-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine

C19H23F3N6O — CID 163702133

IUPACN-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine
SMILESFC(F)(F)C1=CN=C(N/C=C/c2nccc(N3CCC4(CCOCC4)C3)n2)CN1
InChIInChI=1S/C19H23F3N6O/c20-19(21,22)14-11-26-16(12-25-14)24-6-1-15-23-7-2-17(27-15)28-8-3-18(13-28)4-9-29-10-5-18/h1-2,6-7,11,25H,3-5,8-10,12-13H2,(H,24,26)/b6-1+
InChIKeyKBXXDSCHSRKAFY-LZCJLJQNSA-N
MW408.43 g/mol
LogP2.45
Rot. Bonds3

About N-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine

N-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine (PubChem CID 163702133) has the molecular formula C19H23F3N6O and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine.

Molecular Properties

Compound NameN-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine
PubChem CID163702133
Molecular FormulaC19H23F3N6O
Molecular Weight408.43 g/mol
Exact Mass408.19
IUPAC NameN-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine
SMILESFC(F)(F)C1=CN=C(N/C=C/c2nccc(N3CCC4(CCOCC4)C3)n2)CN1
InChIInChI=1S/C19H23F3N6O/c20-19(21,22)14-11-26-16(12-25-14)24-6-1-15-23-7-2-17(27-15)28-8-3-18(13-28)4-9-29-10-5-18/h1-2,6-7,11,25H,3-5,8-10,12-13H2,(H,24,26)/b6-1+
InChIKeyKBXXDSCHSRKAFY-LZCJLJQNSA-N
XLogP2.45
TPSA74.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine?
The IUPAC name of N-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine (CID 163702133) is N-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine.
What is the SMILES notation for N-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine?
The canonical SMILES for N-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine is FC(F)(F)C1=CN=C(N/C=C/c2nccc(N3CCC4(CCOCC4)C3)n2)CN1.
What is the InChIKey of N-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine?
The InChIKey is KBXXDSCHSRKAFY-LZCJLJQNSA-N. The full InChI is InChI=1S/C19H23F3N6O/c20-19(21,22)14-11-26-16(12-25-14)24-6-1-15-23-7-2-17(27-15)28-8-3-18(13-28)4-9-29-10-5-18/h1-2,6-7,11,25H,3-5,8-10,12-13H2,(H,24,26)/b6-1+.
What are the key properties of N-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine?
N-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine has a molecular weight of 408.43 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-[4-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrimidin-2-yl]ethenyl]-6-(trifluoromethyl)-1,2-dihydropyrazin-3-amine is sourced from PubChem (CID 163702133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).