5-(2-aminopyrimidin-4-yl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-bromo-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;bis(N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine);N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-methylmethanamine;tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane

C114H176Br2ClN35O7S4Si5Sn — CID 157185759

About 5-(2-aminopyrimidin-4-yl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-bromo-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;bis(N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine);N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-methylmethanamine;tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane

5-(2-aminopyrimidin-4-yl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-bromo-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;bis(N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine);N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-methylmethanamine;tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane (PubChem CID 157185759) has the molecular formula C114H176Br2ClN35O7S4Si5Sn and a molecular weight of 2731.57 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-bromo-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;bis(N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine);N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-methylmethanamine;tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane.

Molecular Properties

• Compound Name: 5-(2-aminopyrimidin-4-yl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-bromo-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;bis(N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine);N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-methylmethanamine;tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane
• PubChem CID: 157185759
• Molecular Formula: C114H176Br2ClN35O7S4Si5Sn
• Molecular Weight: 2731.57 g/mol
• Exact Mass: 2727.93
• IUPAC Name: 5-(2-aminopyrimidin-4-yl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-bromo-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;bis(N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine);N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-methylmethanamine;tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1ccnc(SC)n1.CN(C)c1ncnc2[nH]cc(-c3ccnc(N)n3)c12.CN(C)c1ncnc2c1c(-c1ccnc(S(C)(=O)=O)n1)cn2COCC[Si](C)(C)C.CN(C)c1ncnc2c1c(Br)cn2COCC[Si](C)(C)C.CNC.CSc1nccc(-c2cn(COCC[Si](C)(C)C)c3ncnc(N(C)C)c23)n1.CSc1nccc(-c2cn(COCC[Si](C)(C)C)c3ncnc(N(C)C)c23)n1.C[Si](C)(C)CCOCn1cc(Br)c2c(Cl)ncnc21
• InChI: InChI=1S/C19H28N6O3SSi.2C19H28N6OSSi.C14H23BrN4OSi.C12H17BrClN3OSi.C12H13N7.C5H5N2S.3C4H9.C2H7N.Sn/c1-24(2)17-16-14(15-7-8-20-19(23-15)29(3,26)27)11-25(18(16)22-12-21-17)13-28-9-10-30(4,5)6;2*1-24(2)17-16-14(15-7-8-20-19(23-15)27-3)11-25(18(16)22-12-21-17)13-26-9-10-28(4,5)6;1-18(2)13-12-11(15)8-19(14(12)17-9-16-13)10-20-6-7-21(3,4)5;1-19(2,3)5-4-18-8-17-6-9(13)10-11(14)15-7-16-12(10)17;1-19(2)11-9-7(5-15-10(9)16-6-17-11)8-3-4-14-12(13)18-8;1-8-5-6-3-2-4-7-5;3*1-3-4-2;1-3-2;/h7-8,11-12H,9-10,13H2,1-6H3;2*7-8,11-12H,9-10,13H2,1-6H3;8-9H,6-7,10H2,1-5H3;6-7H,4-5,8H2,1-3H3;3-6H,1-2H3,(H2,13,14,18)(H,15,16,17);2-3H,1H3;3*1,3-4H2,2H3;3H,1-2H3
• InChIKey: APCFFSMHOFIXIP-UHFFFAOYSA-N
• XLogP: 24.53
• TPSA: 458.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 44
• Rotatable Bonds: 48
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2731.57
LogP ≤ 5	24.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-bromo-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;bis(N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine);N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-methylmethanamine;tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane?

The IUPAC name of 5-(2-aminopyrimidin-4-yl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-bromo-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;bis(N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine);N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-methylmethanamine;tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane (CID 157185759) is 5-(2-aminopyrimidin-4-yl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-bromo-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;bis(N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine);N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-methylmethanamine;tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane.

What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-bromo-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;bis(N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine);N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-methylmethanamine;tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane?

The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-bromo-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;bis(N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine);N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-methylmethanamine;tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccnc(SC)n1.CN(C)c1ncnc2[nH]cc(-c3ccnc(N)n3)c12.CN(C)c1ncnc2c1c(-c1ccnc(S(C)(=O)=O)n1)cn2COCC[Si](C)(C)C.CN(C)c1ncnc2c1c(Br)cn2COCC[Si](C)(C)C.CNC.CSc1nccc(-c2cn(COCC[Si](C)(C)C)c3ncnc(N(C)C)c23)n1.CSc1nccc(-c2cn(COCC[Si](C)(C)C)c3ncnc(N(C)C)c23)n1.C[Si](C)(C)CCOCn1cc(Br)c2c(Cl)ncnc21.

What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-bromo-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;bis(N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine);N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-methylmethanamine;tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane?

The InChIKey is APCFFSMHOFIXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3SSi.2C19H28N6OSSi.C14H23BrN4OSi.C12H17BrClN3OSi.C12H13N7.C5H5N2S.3C4H9.C2H7N.Sn/c1-24(2)17-16-14(15-7-8-20-19(23-15)29(3,26)27)11-25(18(16)22-12-21-17)13-28-9-10-30(4,5)6;2*1-24(2)17-16-14(15-7-8-20-19(23-15)27-3)11-25(18(16)22-12-21-17)13-26-9-10-28(4,5)6;1-18(2)13-12-11(15)8-19(14(12)17-9-16-13)10-20-6-7-21(3,4)5;1-19(2,3)5-4-18-8-17-6-9(13)10-11(14)15-7-16-12(10)17;1-19(2)11-9-7(5-15-10(9)16-6-17-11)8-3-4-14-12(13)18-8;1-8-5-6-3-2-4-7-5;3*1-3-4-2;1-3-2;/h7-8,11-12H,9-10,13H2,1-6H3;2*7-8,11-12H,9-10,13H2,1-6H3;8-9H,6-7,10H2,1-5H3;6-7H,4-5,8H2,1-3H3;3-6H,1-2H3,(H2,13,14,18)(H,15,16,17);2-3H,1H3;3*1,3-4H2,2H3;3H,1-2H3;.

What are the key properties of 5-(2-aminopyrimidin-4-yl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-bromo-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;bis(N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine);N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-methylmethanamine;tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane?

5-(2-aminopyrimidin-4-yl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-bromo-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;bis(N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine);N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-methylmethanamine;tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane has a molecular weight of 2731.57 g/mol, XLogP of 24.53, 48 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-aminopyrimidin-4-yl)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[(5-bromo-4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;5-bromo-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;bis(N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine);N,N-dimethyl-5-(2-methylsulfonylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-methylmethanamine;tributyl-(2-methylsulfanylpyrimidin-4-yl)stannane is sourced from PubChem (CID 157185759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).