5-[(4,6-dimethyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine

C26H32N4O2 — CID 10048452

About 5-[(4,6-dimethyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine

5-[(4,6-dimethyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine (PubChem CID 10048452) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 5-[(4,6-dimethyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine.

Molecular Properties

• Compound Name: 5-[(4,6-dimethyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine
• PubChem CID: 10048452
• Molecular Formula: C26H32N4O2
• Molecular Weight: 432.57 g/mol
• Exact Mass: 432.25
• IUPAC Name: 5-[(4,6-dimethyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine
• SMILES: CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)cc(C)n2)nc1CC
• InChI: InChI=1S/C26H32N4O2/c1-6-20-25(30-24-19-12-10-9-11-18(19)15-22(24)31-8-3)28-21(7-2)26(29-20)32-23-14-16(4)13-17(5)27-23/h9-14,22,24H,6-8,15H2,1-5H3,(H,28,30)/t22-,24+/m0/s1
• InChIKey: OHGDKOGPXYYKAS-LADGPHEKSA-N
• XLogP: 5.52
• TPSA: 69.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.57
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine?

The IUPAC name of 5-[(4,6-dimethyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine (CID 10048452) is 5-[(4,6-dimethyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine.

What is the SMILES notation for 5-[(4,6-dimethyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine?

The canonical SMILES for 5-[(4,6-dimethyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine is CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)cc(C)n2)nc1CC.

What is the InChIKey of 5-[(4,6-dimethyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine?

The InChIKey is OHGDKOGPXYYKAS-LADGPHEKSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-6-20-25(30-24-19-12-10-9-11-18(19)15-22(24)31-8-3)28-21(7-2)26(29-20)32-23-14-16(4)13-17(5)27-23/h9-14,22,24H,6-8,15H2,1-5H3,(H,28,30)/t22-,24+/m0/s1.

What are the key properties of 5-[(4,6-dimethyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine?

5-[(4,6-dimethyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine has a molecular weight of 432.57 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4,6-dimethyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine is sourced from PubChem (CID 10048452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).