N-[3-[(2S)-2-aminopropoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-trimethylsilylethynyl)quinazolin-2-amine;6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane;sulfane

C175H232Br3ClN36O16S6Si4 — CID 158083048

About N-[3-[(2S)-2-aminopropoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-trimethylsilylethynyl)quinazolin-2-amine;6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane;sulfane

N-[3-[(2S)-2-aminopropoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-trimethylsilylethynyl)quinazolin-2-amine;6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane;sulfane (PubChem CID 158083048) has the molecular formula C175H232Br3ClN36O16S6Si4 and a molecular weight of 3675.93 g/mol. Its IUPAC name is N-[3-[(2S)-2-aminopropoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-trimethylsilylethynyl)quinazolin-2-amine;6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane;sulfane.

Molecular Properties

• Compound Name: N-[3-[(2S)-2-aminopropoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-trimethylsilylethynyl)quinazolin-2-amine;6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane;sulfane
• PubChem CID: 158083048
• Molecular Formula: C175H232Br3ClN36O16S6Si4
• Molecular Weight: 3675.93 g/mol
• Exact Mass: 3669.31
• IUPAC Name: N-[3-[(2S)-2-aminopropoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-trimethylsilylethynyl)quinazolin-2-amine;6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane;sulfane
• SMILES: C.C.C.C.C#C[Si](C)(C)C.C[C@@H](COc1cc(N)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@H](N)COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1.Clc1ncc2cc(Br)ccc2n1.S.S.S.S.S.S
• InChI: InChI=1S/2C31H38N6O3Si.2C26H29BrN6O3.C26H30N6OSi.C18H26N4O3.C8H4BrClN2.C5H10Si.4CH4.6H2S/c2*1-21(34-30(38)40-31(2,3)4)20-39-27-15-23(25-18-33-37(5)19-25)14-26(16-27)35-29-32-17-24-13-22(9-10-28(24)36-29)11-12-41(6,7)8;2*1-16(30-25(34)36-26(2,3)4)15-35-22-10-17(19-13-29-33(5)14-19)9-21(11-22)31-24-28-12-18-8-20(27)6-7-23(18)32-24;1-18(27)17-33-24-12-20(22-15-29-32(2)16-22)11-23(13-24)30-26-28-14-21-10-19(6-7-25(21)31-26)8-9-34(3,4)5;1-12(21-17(23)25-18(2,3)4)11-24-16-7-13(6-15(19)8-16)14-9-20-22(5)10-14;9-6-1-2-7-5(3-6)4-11-8(10)12-7;1-5-6(2,3)4;;;;;;;;;;/h2*9-10,13-19,21H,20H2,1-8H3,(H,34,38)(H,32,35,36);2*6-14,16H,15H2,1-5H3,(H,30,34)(H,28,31,32);6-7,10-16,18H,17,27H2,1-5H3,(H,28,30,31);6-10,12H,11,19H2,1-5H3,(H,21,23);1-4H;1H,2-4H3;4*1H4;6*1H2/t2*21-;2*16-;18-;12-;;;;;;;;;;;;/m000000............/s1
• InChIKey: FNEKYVHLZYXAFL-PCLTYSGBSA-N
• XLogP: 39.70
• TPSA: 620.82 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 47
• Rotatable Bonds: 39
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3675.93
LogP ≤ 5	39.70
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-aminopropoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-trimethylsilylethynyl)quinazolin-2-amine;6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane;sulfane?

The IUPAC name of N-[3-[(2S)-2-aminopropoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-trimethylsilylethynyl)quinazolin-2-amine;6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane;sulfane (CID 158083048) is N-[3-[(2S)-2-aminopropoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-trimethylsilylethynyl)quinazolin-2-amine;6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane;sulfane.

What is the SMILES notation for N-[3-[(2S)-2-aminopropoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-trimethylsilylethynyl)quinazolin-2-amine;6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane;sulfane?

The canonical SMILES for N-[3-[(2S)-2-aminopropoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-trimethylsilylethynyl)quinazolin-2-amine;6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane;sulfane is C.C.C.C.C#C[Si](C)(C)C.C[C@@H](COc1cc(N)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@@H](COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1)NC(=O)OC(C)(C)C.C[C@H](N)COc1cc(Nc2ncc3cc(C#C[Si](C)(C)C)ccc3n2)cc(-c2cnn(C)c2)c1.Clc1ncc2cc(Br)ccc2n1.S.S.S.S.S.S.

What is the InChIKey of N-[3-[(2S)-2-aminopropoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-trimethylsilylethynyl)quinazolin-2-amine;6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane;sulfane?

The InChIKey is FNEKYVHLZYXAFL-PCLTYSGBSA-N. The full InChI is InChI=1S/2C31H38N6O3Si.2C26H29BrN6O3.C26H30N6OSi.C18H26N4O3.C8H4BrClN2.C5H10Si.4CH4.6H2S/c2*1-21(34-30(38)40-31(2,3)4)20-39-27-15-23(25-18-33-37(5)19-25)14-26(16-27)35-29-32-17-24-13-22(9-10-28(24)36-29)11-12-41(6,7)8;2*1-16(30-25(34)36-26(2,3)4)15-35-22-10-17(19-13-29-33(5)14-19)9-21(11-22)31-24-28-12-18-8-20(27)6-7-23(18)32-24;1-18(27)17-33-24-12-20(22-15-29-32(2)16-22)11-23(13-24)30-26-28-14-21-10-19(6-7-25(21)31-26)8-9-34(3,4)5;1-12(21-17(23)25-18(2,3)4)11-24-16-7-13(6-15(19)8-16)14-9-20-22(5)10-14;9-6-1-2-7-5(3-6)4-11-8(10)12-7;1-5-6(2,3)4;;;;;;;;;;/h2*9-10,13-19,21H,20H2,1-8H3,(H,34,38)(H,32,35,36);2*6-14,16H,15H2,1-5H3,(H,30,34)(H,28,31,32);6-7,10-16,18H,17,27H2,1-5H3,(H,28,30,31);6-10,12H,11,19H2,1-5H3,(H,21,23);1-4H;1H,2-4H3;4*1H4;6*1H2/t2*21-;2*16-;18-;12-;;;;;;;;;;;;/m000000............/s1.

What are the key properties of N-[3-[(2S)-2-aminopropoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-trimethylsilylethynyl)quinazolin-2-amine;6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane;sulfane?

N-[3-[(2S)-2-aminopropoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-trimethylsilylethynyl)quinazolin-2-amine;6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane;sulfane has a molecular weight of 3675.93 g/mol, XLogP of 39.70, 39 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2S)-2-aminopropoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-trimethylsilylethynyl)quinazolin-2-amine;6-bromo-2-chloroquinazoline;tert-butyl N-[(2S)-1-[3-amino-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenoxy]propan-2-yl]carbamate);bis(tert-butyl N-[(2S)-1-[3-(1-methylpyrazol-4-yl)-5-[[6-(2-trimethylsilylethynyl)quinazolin-2-yl]amino]phenoxy]propan-2-yl]carbamate);ethynyl(trimethyl)silane;methane;sulfane is sourced from PubChem (CID 158083048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).