2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole

C15H19N5OS — CID 131648970

IUPAC2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole
SMILESc1ncc(OC2CC3CN(Cc4nccs4)CCN3C2)cn1
InChIInChI=1S/C15H19N5OS/c1-4-22-15(18-1)10-19-2-3-20-9-13(5-12(20)8-19)21-14-6-16-11-17-7-14/h1,4,6-7,11-13H,2-3,5,8-10H2
InChIKeyVUFOFFZRZXYDCE-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.27
Rot. Bonds4

About 2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole

2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole (PubChem CID 131648970) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole
PubChem CID131648970
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole
SMILESc1ncc(OC2CC3CN(Cc4nccs4)CCN3C2)cn1
InChIInChI=1S/C15H19N5OS/c1-4-22-15(18-1)10-19-2-3-20-9-13(5-12(20)8-19)21-14-6-16-11-17-7-14/h1,4,6-7,11-13H,2-3,5,8-10H2
InChIKeyVUFOFFZRZXYDCE-UHFFFAOYSA-N
XLogP1.27
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole (CID 131648970) is 2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole is c1ncc(OC2CC3CN(Cc4nccs4)CCN3C2)cn1.
What is the InChIKey of 2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole?
The InChIKey is VUFOFFZRZXYDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-4-22-15(18-1)10-19-2-3-20-9-13(5-12(20)8-19)21-14-6-16-11-17-7-14/h1,4,6-7,11-13H,2-3,5,8-10H2.
What are the key properties of 2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole?
2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole has a molecular weight of 317.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 131648970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).