2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

C161H213N37O6S — CID 158030012

IUPAC2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
SMILESC.C.C.C.C.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C(=O)CC(C)C)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C2CCNCC2)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)C2CCNCC2)c1.Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccnc1
InChIInChI=1S/C28H36N6O.C27H35N7O2S.C27H35N7.C27H34N6O.C25H27N5O.C22H26N6O.5CH4/c1-20-19-29-27(31-22-9-11-24(12-10-22)34-15-13-33(5)14-16-34)32-26(20)30-23-8-6-7-21(17-23)25(35)18-28(2,3)4;1-20-19-29-27(31-21-6-8-23(9-7-21)34-16-14-33(2)15-17-34)32-26(20)30-22-4-3-5-25(18-22)37(35,36)24-10-12-28-13-11-24;1-20-19-29-27(31-23-6-8-25(9-7-23)34-16-14-33(2)15-17-34)32-26(20)30-24-5-3-4-22(18-24)21-10-12-28-13-11-21;1-19(2)16-25(34)21-6-5-7-23(17-21)29-26-20(3)18-28-27(31-26)30-22-8-10-24(11-9-22)33-14-12-32(4)13-15-33;1-17-16-27-25(30-24(17)29-23-9-5-8-22-21(23)14-15-26-22)28-18-10-12-20(13-11-18)31-19-6-3-2-4-7-19;1-17-15-24-22(27-21(17)25-19-5-4-10-23-16-19)26-18-6-8-20(9-7-18)29-14-13-28-11-2-3-12-28;;;;;/h6-12,17,19H,13-16,18H2,1-5H3,(H2,29,30,31,32);3-9,18-19,24,28H,10-17H2,1-2H3,(H2,29,30,31,32);3-9,18-19,21,28H,10-17H2,1-2H3,(H2,29,30,31,32);5-11,17-19H,12-16H2,1-4H3,(H2,28,29,30,31);5,8-16,19,26H,2-4,6-7H2,1H3,(H2,27,28,29,30);4-10,15-16H,2-3,11-14H2,1H3,(H2,24,25,26,27);5*1H4
InChIKeyFHBKAXFGMOFFAZ-UHFFFAOYSA-N
MW2794.79 g/mol
LogP32.72
Rot. Bonds42

About 2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 158030012) has the molecular formula C161H213N37O6S and a molecular weight of 2794.79 g/mol. Its IUPAC name is 2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
PubChem CID158030012
Molecular FormulaC161H213N37O6S
Molecular Weight2794.79 g/mol
Exact Mass2792.72
IUPAC Name2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
SMILESC.C.C.C.C.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C(=O)CC(C)C)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C2CCNCC2)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)C2CCNCC2)c1.Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccnc1
InChIInChI=1S/C28H36N6O.C27H35N7O2S.C27H35N7.C27H34N6O.C25H27N5O.C22H26N6O.5CH4/c1-20-19-29-27(31-22-9-11-24(12-10-22)34-15-13-33(5)14-16-34)32-26(20)30-23-8-6-7-21(17-23)25(35)18-28(2,3)4;1-20-19-29-27(31-21-6-8-23(9-7-21)34-16-14-33(2)15-17-34)32-26(20)30-22-4-3-5-25(18-22)37(35,36)24-10-12-28-13-11-24;1-20-19-29-27(31-23-6-8-25(9-7-23)34-16-14-33(2)15-17-34)32-26(20)30-24-5-3-4-22(18-24)21-10-12-28-13-11-21;1-19(2)16-25(34)21-6-5-7-23(17-21)29-26-20(3)18-28-27(31-26)30-22-8-10-24(11-9-22)33-14-12-32(4)13-15-33;1-17-16-27-25(30-24(17)29-23-9-5-8-22-21(23)14-15-26-22)28-18-10-12-20(13-11-18)31-19-6-3-2-4-7-19;1-17-15-24-22(27-21(17)25-19-5-4-10-23-16-19)26-18-6-8-20(9-7-18)29-14-13-28-11-2-3-12-28;;;;;/h6-12,17,19H,13-16,18H2,1-5H3,(H2,29,30,31,32);3-9,18-19,24,28H,10-17H2,1-2H3,(H2,29,30,31,32);3-9,18-19,21,28H,10-17H2,1-2H3,(H2,29,30,31,32);5-11,17-19H,12-16H2,1-4H3,(H2,28,29,30,31);5,8-16,19,26H,2-4,6-7H2,1H3,(H2,27,28,29,30);4-10,15-16H,2-3,11-14H2,1H3,(H2,24,25,26,27);5*1H4
InChIKeyFHBKAXFGMOFFAZ-UHFFFAOYSA-N
XLogP32.72
TPSA467.68 Ų
H-Bond Donors15
H-Bond Acceptors42
Rotatable Bonds42
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002794.79
LogP ≤ 532.72
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine (CID 158030012) is 2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine is C.C.C.C.C.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C(=O)CC(C)(C)C)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C(=O)CC(C)C)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(C2CCNCC2)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)C2CCNCC2)c1.Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc2[nH]ccc12.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccnc1.
What is the InChIKey of 2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?
The InChIKey is FHBKAXFGMOFFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O.C27H35N7O2S.C27H35N7.C27H34N6O.C25H27N5O.C22H26N6O.5CH4/c1-20-19-29-27(31-22-9-11-24(12-10-22)34-15-13-33(5)14-16-34)32-26(20)30-23-8-6-7-21(17-23)25(35)18-28(2,3)4;1-20-19-29-27(31-21-6-8-23(9-7-21)34-16-14-33(2)15-17-34)32-26(20)30-22-4-3-5-25(18-22)37(35,36)24-10-12-28-13-11-24;1-20-19-29-27(31-23-6-8-25(9-7-23)34-16-14-33(2)15-17-34)32-26(20)30-24-5-3-4-22(18-24)21-10-12-28-13-11-21;1-19(2)16-25(34)21-6-5-7-23(17-21)29-26-20(3)18-28-27(31-26)30-22-8-10-24(11-9-22)33-14-12-32(4)13-15-33;1-17-16-27-25(30-24(17)29-23-9-5-8-22-21(23)14-15-26-22)28-18-10-12-20(13-11-18)31-19-6-3-2-4-7-19;1-17-15-24-22(27-21(17)25-19-5-4-10-23-16-19)26-18-6-8-20(9-7-18)29-14-13-28-11-2-3-12-28;;;;;/h6-12,17,19H,13-16,18H2,1-5H3,(H2,29,30,31,32);3-9,18-19,24,28H,10-17H2,1-2H3,(H2,29,30,31,32);3-9,18-19,21,28H,10-17H2,1-2H3,(H2,29,30,31,32);5-11,17-19H,12-16H2,1-4H3,(H2,28,29,30,31);5,8-16,19,26H,2-4,6-7H2,1H3,(H2,27,28,29,30);4-10,15-16H,2-3,11-14H2,1H3,(H2,24,25,26,27);5*1H4.
What are the key properties of 2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?
2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2794.79 g/mol, XLogP of 32.72, 42 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-cyclohexyloxyphenyl)-4-N-(1H-indol-4-yl)-5-methylpyrimidine-2,4-diamine;3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;methane;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-pyridin-3-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158030012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).