(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

C26H30N6O2 — CID 124981897

About (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 124981897) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
• PubChem CID: 124981897
• Molecular Formula: C26H30N6O2
• Molecular Weight: 458.57 g/mol
• Exact Mass: 458.24
• IUPAC Name: (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
• SMILES: Cc1cc(C(=O)N2CCC[C@H](c3nccnc3Oc3ccccc3)C2)nc(N2CCCCC2)n1
• InChI: InChI=1S/C26H30N6O2/c1-19-17-22(30-26(29-19)31-14-6-3-7-15-31)25(33)32-16-8-9-20(18-32)23-24(28-13-12-27-23)34-21-10-4-2-5-11-21/h2,4-5,10-13,17,20H,3,6-9,14-16,18H2,1H3/t20-/m0/s1
• InChIKey: MTIRTVXLTZOGRK-FQEVSTJZSA-N
• XLogP: 4.38
• TPSA: 84.34 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.57
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?

The IUPAC name of (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (CID 124981897) is (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@H](c3nccnc3Oc3ccccc3)C2)nc(N2CCCCC2)n1.

What is the InChIKey of (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?

The InChIKey is MTIRTVXLTZOGRK-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-19-17-22(30-26(29-19)31-14-6-3-7-15-31)25(33)32-16-8-9-20(18-32)23-24(28-13-12-27-23)34-21-10-4-2-5-11-21/h2,4-5,10-13,17,20H,3,6-9,14-16,18H2,1H3/t20-/m0/s1.

What are the key properties of (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?

(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 458.57 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124981897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).