(8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C19H20N6S — CID 95800124

IUPAC(8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1csc(-c2nc(N3CCN4CCC[C@@H]4C3)ncc2-c2cnccn2)c1
InChIInChI=1S/C19H20N6S/c1-3-14-13-25(9-8-24(14)7-1)19-22-11-15(16-12-20-5-6-21-16)18(23-19)17-4-2-10-26-17/h2,4-6,10-12,14H,1,3,7-9,13H2/t14-/m1/s1
InChIKeyPQAKSEUXALGPCK-CQSZACIVSA-N
MW364.48 g/mol
LogP2.95
Rot. Bonds3

About (8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 95800124) has the molecular formula C19H20N6S and a molecular weight of 364.48 g/mol. Its IUPAC name is (8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID95800124
Molecular FormulaC19H20N6S
Molecular Weight364.48 g/mol
Exact Mass364.15
IUPAC Name(8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1csc(-c2nc(N3CCN4CCC[C@@H]4C3)ncc2-c2cnccn2)c1
InChIInChI=1S/C19H20N6S/c1-3-14-13-25(9-8-24(14)7-1)19-22-11-15(16-12-20-5-6-21-16)18(23-19)17-4-2-10-26-17/h2,4-6,10-12,14H,1,3,7-9,13H2/t14-/m1/s1
InChIKeyPQAKSEUXALGPCK-CQSZACIVSA-N
XLogP2.95
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 95800124) is (8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is c1csc(-c2nc(N3CCN4CCC[C@@H]4C3)ncc2-c2cnccn2)c1.
What is the InChIKey of (8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is PQAKSEUXALGPCK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N6S/c1-3-14-13-25(9-8-24(14)7-1)19-22-11-15(16-12-20-5-6-21-16)18(23-19)17-4-2-10-26-17/h2,4-6,10-12,14H,1,3,7-9,13H2/t14-/m1/s1.
What are the key properties of (8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 364.48 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-(5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 95800124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).