5-fluoro-2-[(2R)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine

C40H48F2N10O8S2 — CID 158645713

About 5-fluoro-2-[(2R)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine

5-fluoro-2-[(2R)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine (PubChem CID 158645713) has the molecular formula C40H48F2N10O8S2 and a molecular weight of 899.02 g/mol. Its IUPAC name is 5-fluoro-2-[(2R)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine.

Molecular Properties

• Compound Name: 5-fluoro-2-[(2R)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine
• PubChem CID: 158645713
• Molecular Formula: C40H48F2N10O8S2
• Molecular Weight: 899.02 g/mol
• Exact Mass: 898.31
• IUPAC Name: 5-fluoro-2-[(2R)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine
• SMILES: Cc1ccc(-c2nnc(CS(=O)(=O)[C@@H](C)Cc3ncc(F)cn3)n2C2CCOCC2)o1.Cc1ccc(-c2nnc(CS(=O)(=O)[C@H](C)Cc3ncc(F)cn3)n2C2CCOCC2)o1
• InChI: InChI=1S/2C20H24FN5O4S/c2*1-13-3-4-17(30-13)20-25-24-19(26(20)16-5-7-29-8-6-16)12-31(27,28)14(2)9-18-22-10-15(21)11-23-18/h2*3-4,10-11,14,16H,5-9,12H2,1-2H3/t2*14-/m10/s1
• InChIKey: IAYAHSCYUQDZMJ-IKFJUQJOSA-N
• XLogP: 5.35
• TPSA: 226.00 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	899.02
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2R)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine?

The IUPAC name of 5-fluoro-2-[(2R)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine (CID 158645713) is 5-fluoro-2-[(2R)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine.

What is the SMILES notation for 5-fluoro-2-[(2R)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine?

The canonical SMILES for 5-fluoro-2-[(2R)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine is Cc1ccc(-c2nnc(CS(=O)(=O)[C@@H](C)Cc3ncc(F)cn3)n2C2CCOCC2)o1.Cc1ccc(-c2nnc(CS(=O)(=O)[C@H](C)Cc3ncc(F)cn3)n2C2CCOCC2)o1.

What is the InChIKey of 5-fluoro-2-[(2R)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine?

The InChIKey is IAYAHSCYUQDZMJ-IKFJUQJOSA-N. The full InChI is InChI=1S/2C20H24FN5O4S/c2*1-13-3-4-17(30-13)20-25-24-19(26(20)16-5-7-29-8-6-16)12-31(27,28)14(2)9-18-22-10-15(21)11-23-18/h2*3-4,10-11,14,16H,5-9,12H2,1-2H3/t2*14-/m10/s1.

What are the key properties of 5-fluoro-2-[(2R)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine?

5-fluoro-2-[(2R)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine has a molecular weight of 899.02 g/mol, XLogP of 5.35, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-[(2R)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(5-methylfuran-2-yl)-4-(oxan-4-yl)-1,2,4-triazol-3-yl]methylsulfonyl]propyl]pyrimidine is sourced from PubChem (CID 158645713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).