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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

C107H162ClN31O11S5 — CID 167654641

IUPAC6-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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESC=CC(=O)N(C)[C@@H](C)C(=O)NCCNc1cc(Nc2ncc(C3CCC3)s2)nc(CC)n1.CC(C)(C)OC(=O)NCCN.CCCNc1cc(Nc2ncc(C3CCC3)s2)nc(CC)n1.CCc1nc(Cl)cc(Nc2ncc(C3CCC3)s2)n1.CCc1nc(NCCCC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)cc(Nc2ncc(C3CCC3)s2)n1.CCc1nc(NCCN)cc(Nc2ncc(C3CCC3)s2)n1.C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C25H38N6O3S.C22H31N7O2S.C16H23N5S.C15H22N6S.C13H15ClN4S.C9H17NO4.C7H16N2O2/c1-7-20-28-21(14-22(29-20)30-23-27-15-19(35-23)17-10-8-11-17)26-13-9-12-18(32)16(2)31(6)24(33)34-25(3,4)5;1-5-17-26-18(23-10-11-24-21(31)14(3)29(4)20(30)6-2)12-19(27-17)28-22-25-13-16(32-22)15-8-7-9-15;1-3-8-17-14-9-15(20-13(4-2)19-14)21-16-18-10-12(22-16)11-6-5-7-11;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/h14-17H,7-13H2,1-6H3,(H2,26,27,28,29,30);6,12-15H,2,5,7-11H2,1,3-4H3,(H,24,31)(H2,23,25,26,27,28);9-11H,3-8H2,1-2H3,(H2,17,18,19,20,21);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)/t16-;14-;;;;6-;/m00...0./s1
InChIKeyRBPSBRYLURXFNR-ZTENUAGDSA-N
MW2254.47 g/mol
LogP21.75
Rot. Bonds44

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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (PubChem CID 167654641) has the molecular formula C107H162ClN31O11S5 and a molecular weight of 2254.47 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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name6-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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
PubChem CID167654641
Molecular FormulaC107H162ClN31O11S5
Molecular Weight2254.47 g/mol
Exact Mass2252.14
IUPAC Name6-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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESC=CC(=O)N(C)[C@@H](C)C(=O)NCCNc1cc(Nc2ncc(C3CCC3)s2)nc(CC)n1.CC(C)(C)OC(=O)NCCN.CCCNc1cc(Nc2ncc(C3CCC3)s2)nc(CC)n1.CCc1nc(Cl)cc(Nc2ncc(C3CCC3)s2)n1.CCc1nc(NCCCC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)cc(Nc2ncc(C3CCC3)s2)n1.CCc1nc(NCCN)cc(Nc2ncc(C3CCC3)s2)n1.C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C25H38N6O3S.C22H31N7O2S.C16H23N5S.C15H22N6S.C13H15ClN4S.C9H17NO4.C7H16N2O2/c1-7-20-28-21(14-22(29-20)30-23-27-15-19(35-23)17-10-8-11-17)26-13-9-12-18(32)16(2)31(6)24(33)34-25(3,4)5;1-5-17-26-18(23-10-11-24-21(31)14(3)29(4)20(30)6-2)12-19(27-17)28-22-25-13-16(32-22)15-8-7-9-15;1-3-8-17-14-9-15(20-13(4-2)19-14)21-16-18-10-12(22-16)11-6-5-7-11;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/h14-17H,7-13H2,1-6H3,(H2,26,27,28,29,30);6,12-15H,2,5,7-11H2,1,3-4H3,(H,24,31)(H2,23,25,26,27,28);9-11H,3-8H2,1-2H3,(H2,17,18,19,20,21);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)/t16-;14-;;;;6-;/m00...0./s1
InChIKeyRBPSBRYLURXFNR-ZTENUAGDSA-N
XLogP21.75
TPSA554.85 Ų
H-Bond Donors14
H-Bond Acceptors41
Rotatable Bonds44
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002254.47
LogP ≤ 521.75
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1041

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'}

Analyze 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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethylamino]-1-oxopropan-2-yl]-N-methylcarbamate;(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)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-(methylamino)propanamide;(E)-4-(dimethylamino)but-2-enoic acid;sulfane
CID 167644896
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
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
6-N-(2-aminoethyl)-4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethylpyrimidine-4,6-diamine;tert-butyl N-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 167679347

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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (CID 167654641) 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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.
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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is C=CC(=O)N(C)[C@@H](C)C(=O)NCCNc1cc(Nc2ncc(C3CCC3)s2)nc(CC)n1.CC(C)(C)OC(=O)NCCN.CCCNc1cc(Nc2ncc(C3CCC3)s2)nc(CC)n1.CCc1nc(Cl)cc(Nc2ncc(C3CCC3)s2)n1.CCc1nc(NCCCC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)cc(Nc2ncc(C3CCC3)s2)n1.CCc1nc(NCCN)cc(Nc2ncc(C3CCC3)s2)n1.C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C.
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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The InChIKey is RBPSBRYLURXFNR-ZTENUAGDSA-N. The full InChI is InChI=1S/C25H38N6O3S.C22H31N7O2S.C16H23N5S.C15H22N6S.C13H15ClN4S.C9H17NO4.C7H16N2O2/c1-7-20-28-21(14-22(29-20)30-23-27-15-19(35-23)17-10-8-11-17)26-13-9-12-18(32)16(2)31(6)24(33)34-25(3,4)5;1-5-17-26-18(23-10-11-24-21(31)14(3)29(4)20(30)6-2)12-19(27-17)28-22-25-13-16(32-22)15-8-7-9-15;1-3-8-17-14-9-15(20-13(4-2)19-14)21-16-18-10-12(22-16)11-6-5-7-11;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/h14-17H,7-13H2,1-6H3,(H2,26,27,28,29,30);6,12-15H,2,5,7-11H2,1,3-4H3,(H,24,31)(H2,23,25,26,27,28);9-11H,3-8H2,1-2H3,(H2,17,18,19,20,21);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)/t16-;14-;;;;6-;/m00...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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid has a molecular weight of 2254.47 g/mol, XLogP of 21.75, 44 rotatable bonds, 14 hydrogen bond donors, and 41 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-[(2S)-6-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]-3-oxohexan-2-yl]-N-methylcarbamate;N-(6-chloro-2-ethylpyrimidin-4-yl)-5-cyclobutyl-1,3-thiazol-2-amine;(2S)-N-[2-[[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]amino]ethyl]-2-[methyl(prop-2-enoyl)amino]propanamide;4-N-(5-cyclobutyl-1,3-thiazol-2-yl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is sourced from PubChem (CID 167654641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).