(5R)-1-[[4-[3,5-dichloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one

C25H25Cl2F3N4O2S — CID 146445120

About (5R)-1-[[4-[3,5-dichloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one

(5R)-1-[[4-[3,5-dichloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 146445120) has the molecular formula C25H25Cl2F3N4O2S and a molecular weight of 573.47 g/mol. Its IUPAC name is (5R)-1-[[4-[3,5-dichloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5R)-1-[[4-[3,5-dichloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one
• PubChem CID: 146445120
• Molecular Formula: C25H25Cl2F3N4O2S
• Molecular Weight: 573.47 g/mol
• Exact Mass: 572.10
• IUPAC Name: (5R)-1-[[4-[3,5-dichloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one
• SMILES: CC1(C)CNC[C@@H](Cc2c(Cl)cc(Cl)cc2-c2ncnc3cc(CN4C(=O)CC[C@@H]4C(F)(F)F)sc23)O1
• InChI: InChI=1S/C25H25Cl2F3N4O2S/c1-24(2)11-31-9-14(36-24)7-16-17(5-13(26)6-18(16)27)22-23-19(32-12-33-22)8-15(37-23)10-34-20(25(28,29)30)3-4-21(34)35/h5-6,8,12,14,20,31H,3-4,7,9-11H2,1-2H3/t14-,20-/m1/s1
• InChIKey: BUJKFLIJWWEPSN-JLTOFOAXSA-N
• XLogP: 6.03
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.47
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[[4-[3,5-dichloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one?

The IUPAC name of (5R)-1-[[4-[3,5-dichloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one (CID 146445120) is (5R)-1-[[4-[3,5-dichloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one.

What is the SMILES notation for (5R)-1-[[4-[3,5-dichloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one?

The canonical SMILES for (5R)-1-[[4-[3,5-dichloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one is CC1(C)CNC[C@@H](Cc2c(Cl)cc(Cl)cc2-c2ncnc3cc(CN4C(=O)CC[C@@H]4C(F)(F)F)sc23)O1.

What is the InChIKey of (5R)-1-[[4-[3,5-dichloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one?

The InChIKey is BUJKFLIJWWEPSN-JLTOFOAXSA-N. The full InChI is InChI=1S/C25H25Cl2F3N4O2S/c1-24(2)11-31-9-14(36-24)7-16-17(5-13(26)6-18(16)27)22-23-19(32-12-33-22)8-15(37-23)10-34-20(25(28,29)30)3-4-21(34)35/h5-6,8,12,14,20,31H,3-4,7,9-11H2,1-2H3/t14-,20-/m1/s1.

What are the key properties of (5R)-1-[[4-[3,5-dichloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one?

(5R)-1-[[4-[3,5-dichloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 573.47 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-1-[[4-[3,5-dichloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]phenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 146445120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).