(7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C15H24N4O3 — CID 97458308

IUPAC(7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOCCO[C@@H]1C[C@H]2CN(c3cc(OC)ncn3)CCN2C1
InChIInChI=1S/C15H24N4O3/c1-20-5-6-22-13-7-12-9-19(4-3-18(12)10-13)14-8-15(21-2)17-11-16-14/h8,11-13H,3-7,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyGTTUPOBJRGVXIM-QWHCGFSZSA-N
MW308.38 g/mol
LogP0.41
Rot. Bonds6

About (7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 97458308) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID97458308
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOCCO[C@@H]1C[C@H]2CN(c3cc(OC)ncn3)CCN2C1
InChIInChI=1S/C15H24N4O3/c1-20-5-6-22-13-7-12-9-19(4-3-18(12)10-13)14-8-15(21-2)17-11-16-14/h8,11-13H,3-7,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyGTTUPOBJRGVXIM-QWHCGFSZSA-N
XLogP0.41
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-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 (7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 97458308) is (7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is COCCO[C@@H]1C[C@H]2CN(c3cc(OC)ncn3)CCN2C1.
What is the InChIKey of (7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is GTTUPOBJRGVXIM-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-20-5-6-22-13-7-12-9-19(4-3-18(12)10-13)14-8-15(21-2)17-11-16-14/h8,11-13H,3-7,9-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 308.38 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-7-(2-methoxyethoxy)-2-(6-methoxypyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 97458308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).