(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methyl-2H-pyrimidin-2-id-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;yttrium

C17H15F3N5OY- — CID 59420197

About (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methyl-2H-pyrimidin-2-id-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;yttrium

(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methyl-2H-pyrimidin-2-id-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;yttrium (PubChem CID 59420197) has the molecular formula C17H15F3N5OY- and a molecular weight of 451.24 g/mol. Its IUPAC name is (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methyl-2H-pyrimidin-2-id-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;yttrium.

Molecular Properties

• Compound Name: (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methyl-2H-pyrimidin-2-id-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;yttrium
• PubChem CID: 59420197
• Molecular Formula: C17H15F3N5OY-
• Molecular Weight: 451.24 g/mol
• Exact Mass: 451.03
• IUPAC Name: (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methyl-2H-pyrimidin-2-id-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;yttrium
• SMILES: Cc1n[c-]nc([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)c1F.[Y]
• InChI: InChI=1S/C17H15F3N5O.Y/c1-10(16-15(20)11(2)22-8-23-16)17(26,6-25-9-21-7-24-25)13-4-3-12(18)5-14(13)19;/h3-5,7,9-10,26H,6H2,1-2H3;/q-1;/t10-,17+;/m0./s1
• InChIKey: CCLRTUJWYRQAEH-OUYNRQGDSA-N
• XLogP: 2.28
• TPSA: 76.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.24
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methyl-2H-pyrimidin-2-id-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;yttrium?

The IUPAC name of (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methyl-2H-pyrimidin-2-id-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;yttrium (CID 59420197) is (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methyl-2H-pyrimidin-2-id-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;yttrium.

What is the SMILES notation for (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methyl-2H-pyrimidin-2-id-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;yttrium?

The canonical SMILES for (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methyl-2H-pyrimidin-2-id-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;yttrium is Cc1n[c-]nc([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)c1F.[Y].

What is the InChIKey of (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methyl-2H-pyrimidin-2-id-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;yttrium?

The InChIKey is CCLRTUJWYRQAEH-OUYNRQGDSA-N. The full InChI is InChI=1S/C17H15F3N5O.Y/c1-10(16-15(20)11(2)22-8-23-16)17(26,6-25-9-21-7-24-25)13-4-3-12(18)5-14(13)19;/h3-5,7,9-10,26H,6H2,1-2H3;/q-1;/t10-,17+;/m0./s1.

What are the key properties of (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methyl-2H-pyrimidin-2-id-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;yttrium?

(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methyl-2H-pyrimidin-2-id-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;yttrium has a molecular weight of 451.24 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-methyl-2H-pyrimidin-2-id-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;yttrium is sourced from PubChem (CID 59420197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).