2-[(1R,2S)-1-methoxy-2-[[5-(5-methyl-3-pyridinyl)-4-[(1S)-1-[(2R)-oxan-2-yl]propyl]-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-methylpyrimidine

C26H36N6O4S — CID 147708098

About 2-[(1R,2S)-1-methoxy-2-[[5-(5-methyl-3-pyridinyl)-4-[(1S)-1-[(2R)-oxan-2-yl]propyl]-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-methylpyrimidine

2-[(1R,2S)-1-methoxy-2-[[5-(5-methyl-3-pyridinyl)-4-[(1S)-1-[(2R)-oxan-2-yl]propyl]-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-methylpyrimidine (PubChem CID 147708098) has the molecular formula C26H36N6O4S and a molecular weight of 528.68 g/mol. Its IUPAC name is 2-[(1R,2S)-1-methoxy-2-[[5-(5-methyl-3-pyridinyl)-4-[(1S)-1-[(2R)-oxan-2-yl]propyl]-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-methylpyrimidine.

Molecular Properties

• Compound Name: 2-[(1R,2S)-1-methoxy-2-[[5-(5-methyl-3-pyridinyl)-4-[(1S)-1-[(2R)-oxan-2-yl]propyl]-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-methylpyrimidine
• PubChem CID: 147708098
• Molecular Formula: C26H36N6O4S
• Molecular Weight: 528.68 g/mol
• Exact Mass: 528.25
• IUPAC Name: 2-[(1R,2S)-1-methoxy-2-[[5-(5-methyl-3-pyridinyl)-4-[(1S)-1-[(2R)-oxan-2-yl]propyl]-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-methylpyrimidine
• SMILES: CC[C@@H]([C@H]1CCCCO1)n1c(CS(=O)(=O)[C@@H](C)[C@H](OC)c2ncc(C)cn2)nnc1-c1cncc(C)c1
• InChI: InChI=1S/C26H36N6O4S/c1-6-21(22-9-7-8-10-36-22)32-23(30-31-26(32)20-11-17(2)12-27-15-20)16-37(33,34)19(4)24(35-5)25-28-13-18(3)14-29-25/h11-15,19,21-22,24H,6-10,16H2,1-5H3/t19-,21-,22+,24-/m0/s1
• InChIKey: GUECZPVTFHTYQW-KZDDHRSZSA-N
• XLogP: 3.96
• TPSA: 121.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.68
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-1-methoxy-2-[[5-(5-methyl-3-pyridinyl)-4-[(1S)-1-[(2R)-oxan-2-yl]propyl]-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-methylpyrimidine?

The IUPAC name of 2-[(1R,2S)-1-methoxy-2-[[5-(5-methyl-3-pyridinyl)-4-[(1S)-1-[(2R)-oxan-2-yl]propyl]-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-methylpyrimidine (CID 147708098) is 2-[(1R,2S)-1-methoxy-2-[[5-(5-methyl-3-pyridinyl)-4-[(1S)-1-[(2R)-oxan-2-yl]propyl]-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-methylpyrimidine.

What is the SMILES notation for 2-[(1R,2S)-1-methoxy-2-[[5-(5-methyl-3-pyridinyl)-4-[(1S)-1-[(2R)-oxan-2-yl]propyl]-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-methylpyrimidine?

The canonical SMILES for 2-[(1R,2S)-1-methoxy-2-[[5-(5-methyl-3-pyridinyl)-4-[(1S)-1-[(2R)-oxan-2-yl]propyl]-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-methylpyrimidine is CC[C@@H]([C@H]1CCCCO1)n1c(CS(=O)(=O)[C@@H](C)[C@H](OC)c2ncc(C)cn2)nnc1-c1cncc(C)c1.

What is the InChIKey of 2-[(1R,2S)-1-methoxy-2-[[5-(5-methyl-3-pyridinyl)-4-[(1S)-1-[(2R)-oxan-2-yl]propyl]-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-methylpyrimidine?

The InChIKey is GUECZPVTFHTYQW-KZDDHRSZSA-N. The full InChI is InChI=1S/C26H36N6O4S/c1-6-21(22-9-7-8-10-36-22)32-23(30-31-26(32)20-11-17(2)12-27-15-20)16-37(33,34)19(4)24(35-5)25-28-13-18(3)14-29-25/h11-15,19,21-22,24H,6-10,16H2,1-5H3/t19-,21-,22+,24-/m0/s1.

What are the key properties of 2-[(1R,2S)-1-methoxy-2-[[5-(5-methyl-3-pyridinyl)-4-[(1S)-1-[(2R)-oxan-2-yl]propyl]-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-methylpyrimidine?

2-[(1R,2S)-1-methoxy-2-[[5-(5-methyl-3-pyridinyl)-4-[(1S)-1-[(2R)-oxan-2-yl]propyl]-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-methylpyrimidine has a molecular weight of 528.68 g/mol, XLogP of 3.96, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,2S)-1-methoxy-2-[[5-(5-methyl-3-pyridinyl)-4-[(1S)-1-[(2R)-oxan-2-yl]propyl]-1,2,4-triazol-3-yl]methylsulfonyl]propyl]-5-methylpyrimidine is sourced from PubChem (CID 147708098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).