3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one

C25H28ClFN4O3S — CID 146445087

About 3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one

3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 146445087) has the molecular formula C25H28ClFN4O3S and a molecular weight of 519.04 g/mol. Its IUPAC name is 3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
• PubChem CID: 146445087
• Molecular Formula: C25H28ClFN4O3S
• Molecular Weight: 519.04 g/mol
• Exact Mass: 518.16
• IUPAC Name: 3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
• SMILES: Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)OCC4CF)sc23)c1CC1CNCC(C)(C)O1
• InChI: InChI=1S/C25H28ClFN4O3S/c1-14-4-15(26)5-20(19(14)6-17-9-28-12-25(2,3)34-17)22-23-21(29-13-30-22)7-18(35-23)10-31-16(8-27)11-33-24(31)32/h4-5,7,13,16-17,28H,6,8-12H2,1-3H3
• InChIKey: LAOFEPHHUBDZFP-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.04
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?

The IUPAC name of 3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (CID 146445087) is 3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)OCC4CF)sc23)c1CC1CNCC(C)(C)O1.

What is the InChIKey of 3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?

The InChIKey is LAOFEPHHUBDZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClFN4O3S/c1-14-4-15(26)5-20(19(14)6-17-9-28-12-25(2,3)34-17)22-23-21(29-13-30-22)7-18(35-23)10-31-16(8-27)11-33-24(31)32/h4-5,7,13,16-17,28H,6,8-12H2,1-3H3.

What are the key properties of 3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?

3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 519.04 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 146445087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).