lithium;tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;2-[(4-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;4-(4-ethyl-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide;tripropan-2-yl borate

C93H171B2ClLiN23O13Si3 — CID 160695490

About lithium;tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;2-[(4-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;4-(4-ethyl-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide;tripropan-2-yl borate

lithium;tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;2-[(4-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;4-(4-ethyl-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide;tripropan-2-yl borate (PubChem CID 160695490) has the molecular formula C93H171B2ClLiN23O13Si3 and a molecular weight of 1967.81 g/mol. Its IUPAC name is lithium;tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;2-[(4-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;4-(4-ethyl-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide;tripropan-2-yl borate.

Molecular Properties

• Compound Name: lithium;tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;2-[(4-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;4-(4-ethyl-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide;tripropan-2-yl borate
• PubChem CID: 160695490
• Molecular Formula: C93H171B2ClLiN23O13Si3
• Molecular Weight: 1967.81 g/mol
• Exact Mass: 1966.28
• IUPAC Name: lithium;tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;2-[(4-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;4-(4-ethyl-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide;tripropan-2-yl borate
• SMILES: CC(C)OB(OC(C)C)OC(C)C.CCc1cn[nH]c1-c1cc(N2CC[C@@H](NC)C2)nc(N)n1.CCc1cnn(COCC[Si](C)(C)C)c1.CCc1cnn(COCC[Si](C)(C)C)c1-c1cc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nc(N)n1.CCc1cnn(COCC[Si](C)(C)C)c1[B-](OC(C)C)(OC(C)C)OC(C)C.CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2cc(Cl)nc(N)n2)C1.[Li+]
• InChI: InChI=1S/C25H43N7O3Si.C20H42BN2O4Si.C14H22ClN5O2.C14H21N7.C11H22N2OSi.C9H21BO3.Li/c1-9-18-15-27-32(17-34-12-13-36(6,7)8)22(18)20-14-21(29-23(26)28-20)31-11-10-19(16-31)30(5)24(33)35-25(2,3)4;1-11-19-14-22-23(15-24-12-13-28(8,9)10)20(19)21(25-16(2)3,26-17(4)5)27-18(6)7;1-14(2,3)22-13(21)19(4)9-5-6-20(8-9)11-7-10(15)17-12(16)18-11;1-3-9-7-17-20-13(9)11-6-12(19-14(15)18-11)21-5-4-10(8-21)16-2;1-5-11-8-12-13(9-11)10-14-6-7-15(2,3)4;1-7(2)11-10(12-8(3)4)13-9(5)6;/h14-15,19H,9-13,16-17H2,1-8H3,(H2,26,28,29);14,16-18H,11-13,15H2,1-10H3;7,9H,5-6,8H2,1-4H3,(H2,16,17,18);6-7,10,16H,3-5,8H2,1-2H3,(H,17,20)(H2,15,18,19);8-9H,5-7,10H2,1-4H3;7-9H,1-6H3;/q;-1;;;;;+1/t19-;;9-;10-;;;/m1.11.../s1
• InChIKey: QAOFHUUWEQOXRD-YZNBPSCRSA-N
• XLogP: 13.40
• TPSA: 401.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 40
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1967.81
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

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 lithium;tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;2-[(4-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;4-(4-ethyl-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide;tripropan-2-yl borate?

The IUPAC name of lithium;tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;2-[(4-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;4-(4-ethyl-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide;tripropan-2-yl borate (CID 160695490) is lithium;tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;2-[(4-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;4-(4-ethyl-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide;tripropan-2-yl borate.

What is the SMILES notation for lithium;tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;2-[(4-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;4-(4-ethyl-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide;tripropan-2-yl borate?

The canonical SMILES for lithium;tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;2-[(4-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;4-(4-ethyl-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide;tripropan-2-yl borate is CC(C)OB(OC(C)C)OC(C)C.CCc1cn[nH]c1-c1cc(N2CC[C@@H](NC)C2)nc(N)n1.CCc1cnn(COCC[Si](C)(C)C)c1.CCc1cnn(COCC[Si](C)(C)C)c1-c1cc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nc(N)n1.CCc1cnn(COCC[Si](C)(C)C)c1[B-](OC(C)C)(OC(C)C)OC(C)C.CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2cc(Cl)nc(N)n2)C1.[Li+].

What is the InChIKey of lithium;tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;2-[(4-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;4-(4-ethyl-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide;tripropan-2-yl borate?

The InChIKey is QAOFHUUWEQOXRD-YZNBPSCRSA-N. The full InChI is InChI=1S/C25H43N7O3Si.C20H42BN2O4Si.C14H22ClN5O2.C14H21N7.C11H22N2OSi.C9H21BO3.Li/c1-9-18-15-27-32(17-34-12-13-36(6,7)8)22(18)20-14-21(29-23(26)28-20)31-11-10-19(16-31)30(5)24(33)35-25(2,3)4;1-11-19-14-22-23(15-24-12-13-28(8,9)10)20(19)21(25-16(2)3,26-17(4)5)27-18(6)7;1-14(2,3)22-13(21)19(4)9-5-6-20(8-9)11-7-10(15)17-12(16)18-11;1-3-9-7-17-20-13(9)11-6-12(19-14(15)18-11)21-5-4-10(8-21)16-2;1-5-11-8-12-13(9-11)10-14-6-7-15(2,3)4;1-7(2)11-10(12-8(3)4)13-9(5)6;/h14-15,19H,9-13,16-17H2,1-8H3,(H2,26,28,29);14,16-18H,11-13,15H2,1-10H3;7,9H,5-6,8H2,1-4H3,(H2,16,17,18);6-7,10,16H,3-5,8H2,1-2H3,(H,17,20)(H2,15,18,19);8-9H,5-7,10H2,1-4H3;7-9H,1-6H3;/q;-1;;;;;+1/t19-;;9-;10-;;;/m1.11.../s1.

What are the key properties of lithium;tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;2-[(4-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;4-(4-ethyl-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide;tripropan-2-yl borate?

lithium;tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;2-[(4-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;4-(4-ethyl-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide;tripropan-2-yl borate has a molecular weight of 1967.81 g/mol, XLogP of 13.40, 40 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;2-[(4-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane;4-(4-ethyl-1H-pyrazol-5-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;[4-ethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-tri(propan-2-yloxy)boranuide;tripropan-2-yl borate is sourced from PubChem (CID 160695490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).