potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride

C44H77BClF3KN10O4S2+ — CID 158309717

About potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride

potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride (PubChem CID 158309717) has the molecular formula C44H77BClF3KN10O4S2+ and a molecular weight of 1016.66 g/mol. Its IUPAC name is potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride.

Molecular Properties

• Compound Name: potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride
• PubChem CID: 158309717
• Molecular Formula: C44H77BClF3KN10O4S2+
• Molecular Weight: 1016.66 g/mol
• Exact Mass: 1015.49
• IUPAC Name: potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride
• SMILES: CCN(CC)C1CCC1.CCN(CC)C1CN(Cc2c(C)sc3c(-c4cnc(OC)c(NS(C)(=O)=O)c4)nc(N4CCOCC4)nc23)C1.CCN(CC)C1C[NH+](CC)C1.FB(F)CCl.[F-].[K+]
• InChI: InChI=1S/C26H37N7O4S2.C9H20N2.C8H17N.CH2BClF2.FH.K/c1-6-32(7-2)19-14-31(15-19)16-20-17(3)38-24-22(28-26(29-23(20)24)33-8-10-37-11-9-33)18-12-21(30-39(5,34)35)25(36-4)27-13-18;1-4-10-7-9(8-10)11(5-2)6-3;1-3-9(4-2)8-6-5-7-8;3-1-2(4)5;;/h12-13,19,30H,6-11,14-16H2,1-5H3;9H,4-8H2,1-3H3;8H,3-7H2,1-2H3;1H2;1H;/q;;;;;+1
• InChIKey: HHTGMJQHWCNQDU-UHFFFAOYSA-N
• XLogP: -0.50
• TPSA: 123.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1016.66
LogP ≤ 5	-0.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride?

The IUPAC name of potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride (CID 158309717) is potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride.

What is the SMILES notation for potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride?

The canonical SMILES for potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride is CCN(CC)C1CCC1.CCN(CC)C1CN(Cc2c(C)sc3c(-c4cnc(OC)c(NS(C)(=O)=O)c4)nc(N4CCOCC4)nc23)C1.CCN(CC)C1C[NH+](CC)C1.FB(F)CCl.[F-].[K+].

What is the InChIKey of potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride?

The InChIKey is HHTGMJQHWCNQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O4S2.C9H20N2.C8H17N.CH2BClF2.FH.K/c1-6-32(7-2)19-14-31(15-19)16-20-17(3)38-24-22(28-26(29-23(20)24)33-8-10-37-11-9-33)18-12-21(30-39(5,34)35)25(36-4)27-13-18;1-4-10-7-9(8-10)11(5-2)6-3;1-3-9(4-2)8-6-5-7-8;3-1-2(4)5;;/h12-13,19,30H,6-11,14-16H2,1-5H3;9H,4-8H2,1-3H3;8H,3-7H2,1-2H3;1H2;1H;/q;;;;;+1.

What are the key properties of potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride?

potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride has a molecular weight of 1016.66 g/mol, XLogP of -0.50, 18 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;chloromethyl(difluoro)borane;N-[5-[7-[[3-(diethylamino)azetidin-1-yl]methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;N,N-diethylcyclobutanamine;N,N,1-triethylazetidin-1-ium-3-amine;fluoride is sourced from PubChem (CID 158309717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).