1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol

C23H23F3N8O2 — CID 162480989

About 1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol

1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 162480989) has the molecular formula C23H23F3N8O2 and a molecular weight of 500.49 g/mol. Its IUPAC name is 1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol
• PubChem CID: 162480989
• Molecular Formula: C23H23F3N8O2
• Molecular Weight: 500.49 g/mol
• Exact Mass: 500.19
• IUPAC Name: 1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol
• SMILES: Cc1cc(-c2c(OCc3nnnn3CC(C)(C)O)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1
• InChI: InChI=1S/C23H23F3N8O2/c1-12-8-14(9-16(28-12)20(25)26)18-19(13-4-6-15(24)7-5-13)29-22(27)30-21(18)36-10-17-31-32-33-34(17)11-23(2,3)35/h4-9,20,35H,10-11H2,1-3H3,(H2,27,29,30)
• InChIKey: MTEJAYCXAAAAHE-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 137.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.49
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol?

The IUPAC name of 1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol (CID 162480989) is 1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol.

What is the SMILES notation for 1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol?

The canonical SMILES for 1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol is Cc1cc(-c2c(OCc3nnnn3CC(C)(C)O)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1.

What is the InChIKey of 1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol?

The InChIKey is MTEJAYCXAAAAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N8O2/c1-12-8-14(9-16(28-12)20(25)26)18-19(13-4-6-15(24)7-5-13)29-22(27)30-21(18)36-10-17-31-32-33-34(17)11-23(2,3)35/h4-9,20,35H,10-11H2,1-3H3,(H2,27,29,30).

What are the key properties of 1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol?

1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 500.49 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxymethyl]tetrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 162480989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).