N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-ethylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;tert-butyl 4-hydroxybutanoate;5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4,6-dichloro-2-ethylpyrimidine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride

C102H152Cl4N22O17S4 — CID 167670298

About N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-ethylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;tert-butyl 4-hydroxybutanoate;5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4,6-dichloro-2-ethylpyrimidine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride

N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-ethylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;tert-butyl 4-hydroxybutanoate;5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4,6-dichloro-2-ethylpyrimidine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride (PubChem CID 167670298) has the molecular formula C102H152Cl4N22O17S4 and a molecular weight of 2228.55 g/mol. Its IUPAC name is N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-ethylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;tert-butyl 4-hydroxybutanoate;5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4,6-dichloro-2-ethylpyrimidine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride.

Molecular Properties

• Compound Name: N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-ethylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;tert-butyl 4-hydroxybutanoate;5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4,6-dichloro-2-ethylpyrimidine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride
• PubChem CID: 167670298
• Molecular Formula: C102H152Cl4N22O17S4
• Molecular Weight: 2228.55 g/mol
• Exact Mass: 2224.93
• IUPAC Name: N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-ethylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;tert-butyl 4-hydroxybutanoate;5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4,6-dichloro-2-ethylpyrimidine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride
• SMILES: C=CC(=O)N(C)[C@@H](C)C(=O)NCCOc1cc(Nc2ncc(C3CCC3)s2)nc(CC)n1.CC(C)(C)OC(=O)CCCO.CCc1nc(Cl)cc(Cl)n1.CCc1nc(Cl)cc(OCCCC(=O)OC(C)(C)C)n1.CCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCCC(=O)OC(C)(C)C)n1.CCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCN)n1.C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C.Cl.Nc1ncc(C2CCC2)s1
• InChI: InChI=1S/C22H30N6O3S.C21H30N4O3S.C15H21N5OS.C14H21ClN2O3.C9H17NO4.C8H16O3.C7H10N2S.C6H6Cl2N2.ClH/c1-5-17-25-18(27-22-24-13-16(32-22)15-8-7-9-15)12-19(26-17)31-11-10-23-21(30)14(3)28(4)20(29)6-2;1-5-16-23-17(25-20-22-13-15(29-20)14-8-6-9-14)12-18(24-16)27-11-7-10-19(26)28-21(2,3)4;1-2-12-18-13(8-14(19-12)21-7-6-16)20-15-17-9-11(22-15)10-4-3-5-10;1-5-11-16-10(15)9-12(17-11)19-8-6-7-13(18)20-14(2,3)4;1-6(7(11)12)10(5)8(13)14-9(2,3)4;1-8(2,3)11-7(10)5-4-6-9;8-7-9-4-6(10-7)5-2-1-3-5;1-2-6-9-4(7)3-5(8)10-6;/h6,12-15H,2,5,7-11H2,1,3-4H3,(H,23,30)(H,24,25,26,27);12-14H,5-11H2,1-4H3,(H,22,23,24,25);8-10H,2-7,16H2,1H3,(H,17,18,19,20);9H,5-8H2,1-4H3;6H,1-5H3,(H,11,12);9H,4-6H2,1-3H3;4-5H,1-3H2,(H2,8,9);3H,2H2,1H3;1H/t14-;;;;6-;;;;/m0...0..../s1
• InChIKey: BQTJMGAAEKICRT-CCBCZCITSA-N
• XLogP: 21.27
• TPSA: 520.89 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 40
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2228.55
LogP ≤ 5	21.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

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 N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-ethylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;tert-butyl 4-hydroxybutanoate;5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4,6-dichloro-2-ethylpyrimidine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride?

The IUPAC name of N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-ethylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;tert-butyl 4-hydroxybutanoate;5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4,6-dichloro-2-ethylpyrimidine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride (CID 167670298) is N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-ethylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;tert-butyl 4-hydroxybutanoate;5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4,6-dichloro-2-ethylpyrimidine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride.

What is the SMILES notation for N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-ethylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;tert-butyl 4-hydroxybutanoate;5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4,6-dichloro-2-ethylpyrimidine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride?

The canonical SMILES for N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-ethylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;tert-butyl 4-hydroxybutanoate;5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4,6-dichloro-2-ethylpyrimidine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride is C=CC(=O)N(C)[C@@H](C)C(=O)NCCOc1cc(Nc2ncc(C3CCC3)s2)nc(CC)n1.CC(C)(C)OC(=O)CCCO.CCc1nc(Cl)cc(Cl)n1.CCc1nc(Cl)cc(OCCCC(=O)OC(C)(C)C)n1.CCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCCC(=O)OC(C)(C)C)n1.CCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCN)n1.C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C.Cl.Nc1ncc(C2CCC2)s1.

What is the InChIKey of N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-ethylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;tert-butyl 4-hydroxybutanoate;5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4,6-dichloro-2-ethylpyrimidine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride?

The InChIKey is BQTJMGAAEKICRT-CCBCZCITSA-N. The full InChI is InChI=1S/C22H30N6O3S.C21H30N4O3S.C15H21N5OS.C14H21ClN2O3.C9H17NO4.C8H16O3.C7H10N2S.C6H6Cl2N2.ClH/c1-5-17-25-18(27-22-24-13-16(32-22)15-8-7-9-15)12-19(26-17)31-11-10-23-21(30)14(3)28(4)20(29)6-2;1-5-16-23-17(25-20-22-13-15(29-20)14-8-6-9-14)12-18(24-16)27-11-7-10-19(26)28-21(2,3)4;1-2-12-18-13(8-14(19-12)21-7-6-16)20-15-17-9-11(22-15)10-4-3-5-10;1-5-11-16-10(15)9-12(17-11)19-8-6-7-13(18)20-14(2,3)4;1-6(7(11)12)10(5)8(13)14-9(2,3)4;1-8(2,3)11-7(10)5-4-6-9;8-7-9-4-6(10-7)5-2-1-3-5;1-2-6-9-4(7)3-5(8)10-6;/h6,12-15H,2,5,7-11H2,1,3-4H3,(H,23,30)(H,24,25,26,27);12-14H,5-11H2,1-4H3,(H,22,23,24,25);8-10H,2-7,16H2,1H3,(H,17,18,19,20);9H,5-8H2,1-4H3;6H,1-5H3,(H,11,12);9H,4-6H2,1-3H3;4-5H,1-3H2,(H2,8,9);3H,2H2,1H3;1H/t14-;;;;6-;;;;/m0...0..../s1.

What are the key properties of N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-ethylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;tert-butyl 4-hydroxybutanoate;5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4,6-dichloro-2-ethylpyrimidine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride?

N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-ethylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;tert-butyl 4-hydroxybutanoate;5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4,6-dichloro-2-ethylpyrimidine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride has a molecular weight of 2228.55 g/mol, XLogP of 21.27, 40 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-ethylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;tert-butyl 4-hydroxybutanoate;5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxyethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4,6-dichloro-2-ethylpyrimidine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;hydrochloride is sourced from PubChem (CID 167670298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).