2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide

C32H34F2N6O3S2 — CID 160891675

About 2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide

2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide (PubChem CID 160891675) has the molecular formula C32H34F2N6O3S2 and a molecular weight of 652.79 g/mol. Its IUPAC name is 2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide
• PubChem CID: 160891675
• Molecular Formula: C32H34F2N6O3S2
• Molecular Weight: 652.79 g/mol
• Exact Mass: 652.21
• IUPAC Name: 2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide
• SMILES: NCC(=O)c1cnc(CC2(c3ccsc3)CCC2)nc1.O=C(CNC(=O)C(F)F)c1cnc(CC2(c3ccsc3)CCC2)nc1
• InChI: InChI=1S/C17H17F2N3O2S.C15H17N3OS/c18-15(19)16(24)22-9-13(23)11-7-20-14(21-8-11)6-17(3-1-4-17)12-2-5-25-10-12;16-7-13(19)11-8-17-14(18-9-11)6-15(3-1-4-15)12-2-5-20-10-12/h2,5,7-8,10,15H,1,3-4,6,9H2,(H,22,24);2,5,8-10H,1,3-4,6-7,16H2
• InChIKey: SOITZLPWNPPNKC-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 140.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.79
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide?

The IUPAC name of 2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide (CID 160891675) is 2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide.

What is the SMILES notation for 2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide?

The canonical SMILES for 2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide is NCC(=O)c1cnc(CC2(c3ccsc3)CCC2)nc1.O=C(CNC(=O)C(F)F)c1cnc(CC2(c3ccsc3)CCC2)nc1.

What is the InChIKey of 2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide?

The InChIKey is SOITZLPWNPPNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2S.C15H17N3OS/c18-15(19)16(24)22-9-13(23)11-7-20-14(21-8-11)6-17(3-1-4-17)12-2-5-25-10-12;16-7-13(19)11-8-17-14(18-9-11)6-15(3-1-4-15)12-2-5-20-10-12/h2,5,7-8,10,15H,1,3-4,6,9H2,(H,22,24);2,5,8-10H,1,3-4,6-7,16H2.

What are the key properties of 2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide?

2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide has a molecular weight of 652.79 g/mol, XLogP of 5.11, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethanone;2,2-difluoro-N-[2-oxo-2-[2-[(1-thiophen-3-ylcyclobutyl)methyl]pyrimidin-5-yl]ethyl]acetamide is sourced from PubChem (CID 160891675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).