6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine

C15H17FN6S — CID 118306347

IUPAC6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
SMILESNC1NC2(c3ccccn3)CN(c3ncc(F)cn3)CC2CS1
InChIInChI=1S/C15H17FN6S/c16-11-5-19-14(20-6-11)22-7-10-8-23-13(17)21-15(10,9-22)12-3-1-2-4-18-12/h1-6,10,13,21H,7-9,17H2
InChIKeyNJVBHBOOJSQDLI-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.92
Rot. Bonds2

About 6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine

6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine (PubChem CID 118306347) has the molecular formula C15H17FN6S and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine.

Molecular Properties

Compound Name6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
PubChem CID118306347
Molecular FormulaC15H17FN6S
Molecular Weight332.41 g/mol
Exact Mass332.12
IUPAC Name6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
SMILESNC1NC2(c3ccccn3)CN(c3ncc(F)cn3)CC2CS1
InChIInChI=1S/C15H17FN6S/c16-11-5-19-14(20-6-11)22-7-10-8-23-13(17)21-15(10,9-22)12-3-1-2-4-18-12/h1-6,10,13,21H,7-9,17H2
InChIKeyNJVBHBOOJSQDLI-UHFFFAOYSA-N
XLogP0.92
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine?
The IUPAC name of 6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine (CID 118306347) is 6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine.
What is the SMILES notation for 6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine?
The canonical SMILES for 6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine is NC1NC2(c3ccccn3)CN(c3ncc(F)cn3)CC2CS1.
What is the InChIKey of 6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine?
The InChIKey is NJVBHBOOJSQDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6S/c16-11-5-19-14(20-6-11)22-7-10-8-23-13(17)21-15(10,9-22)12-3-1-2-4-18-12/h1-6,10,13,21H,7-9,17H2.
What are the key properties of 6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine?
6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoropyrimidin-2-yl)-7a-pyridin-2-yl-1,2,4,4a,5,7-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine is sourced from PubChem (CID 118306347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).