2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide

C144H171Br6N59O17S3 — CID 160726921

IUPAC2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cc(Br)cc(-n3nccn3)c2)n1.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2ccc(Br)c(-n3nccn3)c2)n1.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2ccc(Br)c(-n3nccn3)c2)n1.CS(=O)c1ncc(C(N)=O)c(Nc2cc(Br)cc(-n3nccn3)c2)n1.CS(=O)c1ncc(C(N)=O)c(Nc2ccc(Br)c(-n3nccn3)c2)n1.CSc1ncc(C(N)=O)c(Nc2cccc(-n3nccn3)c2)n1.NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc(Br)c(-n2nccn2)c1
InChIInChI=1S/3C24H30BrN9O3.C19H22BrN9O.2C14H12BrN7O2S.C14H13N7OS.C11H22N2O2/c1-24(2,3)37-23(36)32-19-7-5-4-6-18(19)31-22-27-13-17(20(26)35)21(33-22)30-15-10-14(25)11-16(12-15)34-28-8-9-29-34;2*1-24(2,3)37-23(36)32-18-7-5-4-6-17(18)31-22-27-13-15(20(26)35)21(33-22)30-14-8-9-16(25)19(12-14)34-28-10-11-29-34;20-13-6-5-11(9-16(13)29-24-7-8-25-29)26-18-12(17(22)30)10-23-19(28-18)27-15-4-2-1-3-14(15)21;1-25(24)14-17-7-11(12(16)23)13(21-14)20-9-4-8(15)5-10(6-9)22-18-2-3-19-22;1-25(24)14-17-7-9(12(16)23)13(21-14)20-8-2-3-10(15)11(6-8)22-18-4-5-19-22;1-23-14-16-8-11(12(15)22)13(20-14)19-9-3-2-4-10(7-9)21-17-5-6-18-21;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-13,18-19H,4-7H2,1-3H3,(H2,26,35)(H,32,36)(H2,27,30,31,33);2*8-13,17-18H,4-7H2,1-3H3,(H2,26,35)(H,32,36)(H2,27,30,31,33);5-10,14-15H,1-4,21H2,(H2,22,30)(H2,23,26,27,28);2*2-7H,1H3,(H2,16,23)(H,17,20,21);2-8H,1H3,(H2,15,22)(H,16,19,20);8-9H,4-7,12H2,1-3H3,(H,13,14)/t18-,19+;2*17-,18+;14-,15+;;;;8-,9+/m1110...1/s1
InChIKeyRTVGKEVDUHZENC-YIEBVSJESA-N
MW3575.97 g/mol
LogP20.28
Rot. Bonds43

About 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide

2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide (PubChem CID 160726921) has the molecular formula C144H171Br6N59O17S3 and a molecular weight of 3575.97 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
PubChem CID160726921
Molecular FormulaC144H171Br6N59O17S3
Molecular Weight3575.97 g/mol
Exact Mass3567.86
IUPAC Name2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cc(Br)cc(-n3nccn3)c2)n1.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2ccc(Br)c(-n3nccn3)c2)n1.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2ccc(Br)c(-n3nccn3)c2)n1.CS(=O)c1ncc(C(N)=O)c(Nc2cc(Br)cc(-n3nccn3)c2)n1.CS(=O)c1ncc(C(N)=O)c(Nc2ccc(Br)c(-n3nccn3)c2)n1.CSc1ncc(C(N)=O)c(Nc2cccc(-n3nccn3)c2)n1.NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc(Br)c(-n2nccn2)c1
InChIInChI=1S/3C24H30BrN9O3.C19H22BrN9O.2C14H12BrN7O2S.C14H13N7OS.C11H22N2O2/c1-24(2,3)37-23(36)32-19-7-5-4-6-18(19)31-22-27-13-17(20(26)35)21(33-22)30-15-10-14(25)11-16(12-15)34-28-8-9-29-34;2*1-24(2,3)37-23(36)32-18-7-5-4-6-17(18)31-22-27-13-15(20(26)35)21(33-22)30-14-8-9-16(25)19(12-14)34-28-10-11-29-34;20-13-6-5-11(9-16(13)29-24-7-8-25-29)26-18-12(17(22)30)10-23-19(28-18)27-15-4-2-1-3-14(15)21;1-25(24)14-17-7-11(12(16)23)13(21-14)20-9-4-8(15)5-10(6-9)22-18-2-3-19-22;1-25(24)14-17-7-9(12(16)23)13(21-14)20-8-2-3-10(15)11(6-8)22-18-4-5-19-22;1-23-14-16-8-11(12(15)22)13(20-14)19-9-3-2-4-10(7-9)21-17-5-6-18-21;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-13,18-19H,4-7H2,1-3H3,(H2,26,35)(H,32,36)(H2,27,30,31,33);2*8-13,17-18H,4-7H2,1-3H3,(H2,26,35)(H,32,36)(H2,27,30,31,33);5-10,14-15H,1-4,21H2,(H2,22,30)(H2,23,26,27,28);2*2-7H,1H3,(H2,16,23)(H,17,20,21);2-8H,1H3,(H2,15,22)(H,16,19,20);8-9H,4-7,12H2,1-3H3,(H,13,14)/t18-,19+;2*17-,18+;14-,15+;;;;8-,9+/m1110...1/s1
InChIKeyRTVGKEVDUHZENC-YIEBVSJESA-N
XLogP20.28
TPSA1068.89 Ų
H-Bond Donors24
H-Bond Acceptors66
Rotatable Bonds43
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003575.97
LogP ≤ 520.28
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1066

Computed Properties (RDKit)

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

Analyze 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide (CID 160726921) is 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide is CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cc(Br)cc(-n3nccn3)c2)n1.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2ccc(Br)c(-n3nccn3)c2)n1.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2ccc(Br)c(-n3nccn3)c2)n1.CS(=O)c1ncc(C(N)=O)c(Nc2cc(Br)cc(-n3nccn3)c2)n1.CS(=O)c1ncc(C(N)=O)c(Nc2ccc(Br)c(-n3nccn3)c2)n1.CSc1ncc(C(N)=O)c(Nc2cccc(-n3nccn3)c2)n1.NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc(Br)c(-n2nccn2)c1.
What is the InChIKey of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
The InChIKey is RTVGKEVDUHZENC-YIEBVSJESA-N. The full InChI is InChI=1S/3C24H30BrN9O3.C19H22BrN9O.2C14H12BrN7O2S.C14H13N7OS.C11H22N2O2/c1-24(2,3)37-23(36)32-19-7-5-4-6-18(19)31-22-27-13-17(20(26)35)21(33-22)30-15-10-14(25)11-16(12-15)34-28-8-9-29-34;2*1-24(2,3)37-23(36)32-18-7-5-4-6-17(18)31-22-27-13-15(20(26)35)21(33-22)30-14-8-9-16(25)19(12-14)34-28-10-11-29-34;20-13-6-5-11(9-16(13)29-24-7-8-25-29)26-18-12(17(22)30)10-23-19(28-18)27-15-4-2-1-3-14(15)21;1-25(24)14-17-7-11(12(16)23)13(21-14)20-9-4-8(15)5-10(6-9)22-18-2-3-19-22;1-25(24)14-17-7-9(12(16)23)13(21-14)20-8-2-3-10(15)11(6-8)22-18-4-5-19-22;1-23-14-16-8-11(12(15)22)13(20-14)19-9-3-2-4-10(7-9)21-17-5-6-18-21;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-13,18-19H,4-7H2,1-3H3,(H2,26,35)(H,32,36)(H2,27,30,31,33);2*8-13,17-18H,4-7H2,1-3H3,(H2,26,35)(H,32,36)(H2,27,30,31,33);5-10,14-15H,1-4,21H2,(H2,22,30)(H2,23,26,27,28);2*2-7H,1H3,(H2,16,23)(H,17,20,21);2-8H,1H3,(H2,15,22)(H,16,19,20);8-9H,4-7,12H2,1-3H3,(H,13,14)/t18-,19+;2*17-,18+;14-,15+;;;;8-,9+/m1110...1/s1.
What are the key properties of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide has a molecular weight of 3575.97 g/mol, XLogP of 20.28, 43 rotatable bonds, 24 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-bromo-3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide;4-[3-bromo-5-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;4-[4-bromo-3-(triazol-2-yl)anilino]-2-methylsulfinylpyrimidine-5-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[4-[3-bromo-5-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate;bis(tert-butyl N-[(1S,2R)-2-[[4-[4-bromo-3-(triazol-2-yl)anilino]-5-carbamoylpyrimidin-2-yl]amino]cyclohexyl]carbamate);2-methylsulfanyl-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 160726921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).