6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(E)-N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;sulfane

C89H140ClN27O10S5 — CID 167672876

About 6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(E)-N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;sulfane

6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(E)-N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;sulfane (PubChem CID 167672876) has the molecular formula C89H140ClN27O10S5 and a molecular weight of 1944.07 g/mol. Its IUPAC name is 6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(E)-N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;sulfane.

Molecular Properties

• Compound Name: 6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(E)-N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;sulfane
• PubChem CID: 167672876
• Molecular Formula: C89H140ClN27O10S5
• Molecular Weight: 1944.07 g/mol
• Exact Mass: 1941.96
• IUPAC Name: 6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(E)-N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;sulfane
• SMILES: CC(C)(C)OC(=O)NCCN.CCc1nc(Cl)cc(Nc2ncc(C3CCC3)s2)n1.CCc1nc(NCCN)cc(Nc2ncc(C3CCC3)s2)n1.CCc1nc(NCCNC(=O)OC(C)(C)C)cc(Nc2ncc(C3CCC3)s2)n1.CCc1nc(NCCNC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)C)cc(Nc2ncc(C3CCC3)s2)n1.C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C.S
• InChI: InChI=1S/C25H38N8O2S.C20H30N6O2S.C15H22N6S.C13H15ClN4S.C9H17NO4.C7H16N2O2.H2S/c1-6-20-29-21(15-22(30-20)31-25-28-16-19(36-25)18-9-7-10-18)26-12-13-27-24(35)17(2)33(5)23(34)11-8-14-32(3)4;1-5-15-24-16(21-9-10-22-19(27)28-20(2,3)4)11-17(25-15)26-18-23-12-14(29-18)13-7-6-8-13;1-2-12-19-13(17-7-6-16)8-14(20-12)21-15-18-9-11(22-15)10-4-3-5-10;1-2-11-16-10(14)6-12(17-11)18-13-15-7-9(19-13)8-4-3-5-8;1-6(7(11)12)10(5)8(13)14-9(2,3)4;1-7(2,3)11-6(10)9-5-4-8;/h8,11,15-18H,6-7,9-10,12-14H2,1-5H3,(H,27,35)(H2,26,28,29,30,31);11-13H,5-10H2,1-4H3,(H,22,27)(H2,21,23,24,25,26);8-10H,2-7,16H2,1H3,(H2,17,18,19,20,21);6-8H,2-5H2,1H3,(H,15,16,17,18);6H,1-5H3,(H,11,12);4-5,8H2,1-3H3,(H,9,10);1H2/b11-8+;;;;;;/t17-;;;;6-;;/m0...0../s1
• InChIKey: UJQZIBOZVQENDB-ORRAJMDJSA-N
• XLogP: 16.39
• TPSA: 487.08 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Rotatable Bonds: 36
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1944.07
LogP ≤ 5	16.39
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(E)-N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;sulfane?

The IUPAC name of 6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(E)-N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;sulfane (CID 167672876) is 6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(E)-N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;sulfane.

What is the SMILES notation for 6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(E)-N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;sulfane?

The canonical SMILES for 6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(E)-N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;sulfane is CC(C)(C)OC(=O)NCCN.CCc1nc(Cl)cc(Nc2ncc(C3CCC3)s2)n1.CCc1nc(NCCN)cc(Nc2ncc(C3CCC3)s2)n1.CCc1nc(NCCNC(=O)OC(C)(C)C)cc(Nc2ncc(C3CCC3)s2)n1.CCc1nc(NCCNC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)C)cc(Nc2ncc(C3CCC3)s2)n1.C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C.S.

What is the InChIKey of 6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(E)-N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;sulfane?

The InChIKey is UJQZIBOZVQENDB-ORRAJMDJSA-N. The full InChI is InChI=1S/C25H38N8O2S.C20H30N6O2S.C15H22N6S.C13H15ClN4S.C9H17NO4.C7H16N2O2.H2S/c1-6-20-29-21(15-22(30-20)31-25-28-16-19(36-25)18-9-7-10-18)26-12-13-27-24(35)17(2)33(5)23(34)11-8-14-32(3)4;1-5-15-24-16(21-9-10-22-19(27)28-20(2,3)4)11-17(25-15)26-18-23-12-14(29-18)13-7-6-8-13;1-2-12-19-13(17-7-6-16)8-14(20-12)21-15-18-9-11(22-15)10-4-3-5-10;1-2-11-16-10(14)6-12(17-11)18-13-15-7-9(19-13)8-4-3-5-8;1-6(7(11)12)10(5)8(13)14-9(2,3)4;1-7(2,3)11-6(10)9-5-4-8;/h8,11,15-18H,6-7,9-10,12-14H2,1-5H3,(H,27,35)(H2,26,28,29,30,31);11-13H,5-10H2,1-4H3,(H,22,27)(H2,21,23,24,25,26);8-10H,2-7,16H2,1H3,(H2,17,18,19,20,21);6-8H,2-5H2,1H3,(H,15,16,17,18);6H,1-5H3,(H,11,12);4-5,8H2,1-3H3,(H,9,10);1H2/b11-8+;;;;;;/t17-;;;;6-;;/m0...0../s1.

What are the key properties of 6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(E)-N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;sulfane?

6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(E)-N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;sulfane has a molecular weight of 1944.07 g/mol, XLogP of 16.39, 36 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(E)-N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;sulfane is sourced from PubChem (CID 167672876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).