dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)

C107H100BClK2N4O5P4PdS2 — CID 159763030

About dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)

dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) (PubChem CID 159763030) has the molecular formula C107H100BClK2N4O5P4PdS2 and a molecular weight of 1940.91 g/mol. Its IUPAC name is dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 159763030
• Molecular Formula: C107H100BClK2N4O5P4PdS2
• Molecular Weight: 1940.91 g/mol
• Exact Mass: 1938.42
• IUPAC Name: dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)
• SMILES: CC(C)c1csc2c(Cl)ncnc12.Cc1cc(C)cc(-c2ncnc3c(C(C)C)csc23)c1.Cc1cc(C)cc(B(O)O)c1.O=CO[O-].[H-].[K+].[K+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/4C18H15P.C17H18N2S.C9H9ClN2S.C8H11BO2.CH2O3.2K.Pd.H/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)14-8-20-17-15(18-9-19-16(14)17)13-6-11(3)5-12(4)7-13;1-5(2)6-3-13-8-7(6)11-4-12-9(8)10;1-6-3-7(2)5-8(4-6)9(10)11;2-1-4-3;;;;/h4*1-15H;5-10H,1-4H3;3-5H,1-2H3;3-5,10-11H,1-2H3;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1
• InChIKey: ZVENJULHIZGJBD-UHFFFAOYSA-M
• XLogP: 14.88
• TPSA: 141.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1940.91
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) (CID 159763030) is dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) is CC(C)c1csc2c(Cl)ncnc12.Cc1cc(C)cc(-c2ncnc3c(C(C)C)csc23)c1.Cc1cc(C)cc(B(O)O)c1.O=CO[O-].[H-].[K+].[K+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)?

The InChIKey is ZVENJULHIZGJBD-UHFFFAOYSA-M. The full InChI is InChI=1S/4C18H15P.C17H18N2S.C9H9ClN2S.C8H11BO2.CH2O3.2K.Pd.H/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)14-8-20-17-15(18-9-19-16(14)17)13-6-11(3)5-12(4)7-13;1-5(2)6-3-13-8-7(6)11-4-12-9(8)10;1-6-3-7(2)5-8(4-6)9(10)11;2-1-4-3;;;;/h4*1-15H;5-10H,1-4H3;3-5H,1-2H3;3-5,10-11H,1-2H3;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1.

What are the key properties of dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)?

dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) has a molecular weight of 1940.91 g/mol, XLogP of 14.88, 17 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;4-chloro-7-propan-2-ylthieno[3,2-d]pyrimidine;(3,5-dimethylphenyl)boronic acid;4-(3,5-dimethylphenyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;hydride;oxido formate;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159763030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).