6-[3-(2,3-difluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine

C31H37F2N7O2 — CID 174175353

About 6-[3-(2,3-difluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine

6-[3-(2,3-difluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine (PubChem CID 174175353) has the molecular formula C31H37F2N7O2 and a molecular weight of 577.68 g/mol. Its IUPAC name is 6-[3-(2,3-difluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-[3-(2,3-difluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine
• PubChem CID: 174175353
• Molecular Formula: C31H37F2N7O2
• Molecular Weight: 577.68 g/mol
• Exact Mass: 577.30
• IUPAC Name: 6-[3-(2,3-difluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine
• SMILES: COc1cc(N2CCC(N3CC4(CN(C)C4)C3)CC2)ccc1Nc1cc(N2OCCC2c2cccc(F)c2F)ncn1
• InChI: InChI=1S/C31H37F2N7O2/c1-37-16-31(17-37)18-39(19-31)21-8-11-38(12-9-21)22-6-7-25(27(14-22)41-2)36-28-15-29(35-20-34-28)40-26(10-13-42-40)23-4-3-5-24(32)30(23)33/h3-7,14-15,20-21,26H,8-13,16-19H2,1-2H3,(H,34,35,36)
• InChIKey: FIOZMGMLBVIWGB-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 69.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.68
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,3-difluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine?

The IUPAC name of 6-[3-(2,3-difluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine (CID 174175353) is 6-[3-(2,3-difluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine.

What is the SMILES notation for 6-[3-(2,3-difluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine?

The canonical SMILES for 6-[3-(2,3-difluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine is COc1cc(N2CCC(N3CC4(CN(C)C4)C3)CC2)ccc1Nc1cc(N2OCCC2c2cccc(F)c2F)ncn1.

What is the InChIKey of 6-[3-(2,3-difluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine?

The InChIKey is FIOZMGMLBVIWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F2N7O2/c1-37-16-31(17-37)18-39(19-31)21-8-11-38(12-9-21)22-6-7-25(27(14-22)41-2)36-28-15-29(35-20-34-28)40-26(10-13-42-40)23-4-3-5-24(32)30(23)33/h3-7,14-15,20-21,26H,8-13,16-19H2,1-2H3,(H,34,35,36).

What are the key properties of 6-[3-(2,3-difluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine?

6-[3-(2,3-difluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine has a molecular weight of 577.68 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(2,3-difluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine is sourced from PubChem (CID 174175353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).