N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

C162H174Cl4N40O9S — CID 167593763

IUPACN-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CNc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2Cl)cc1.C=CC(=O)Nc1cccc(CNc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2Cl)c1.C=CC(=O)Nc1ccccc1CNc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1Cl.C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1Cl.C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)nc2sccc12
InChIInChI=1S/C37H42ClN9O2.3C33H35ClN8O2.C26H27N7OS/c1-4-33(48)41-31-10-5-6-11-32(31)42-35-29(36(49)43-34-25(2)8-7-9-30(34)38)24-39-37(44-35)40-26-12-14-27(15-13-26)46-18-16-28(17-19-46)47-22-20-45(3)21-23-47;1-4-29(43)37-25-9-6-8-23(19-25)20-35-31-27(32(44)39-30-22(2)7-5-10-28(30)34)21-36-33(40-31)38-24-11-13-26(14-12-24)42-17-15-41(3)16-18-42;1-4-29(43)38-28-11-6-5-9-23(28)20-35-31-26(32(44)39-30-22(2)8-7-10-27(30)34)21-36-33(40-31)37-24-12-14-25(15-13-24)42-18-16-41(3)17-19-42;1-4-29(43)37-24-10-8-23(9-11-24)20-35-31-27(32(44)39-30-22(2)6-5-7-28(30)34)21-36-33(40-31)38-25-12-14-26(15-13-25)42-18-16-41(3)17-19-42;1-3-23(34)28-21-6-4-5-7-22(21)29-24-20-12-17-35-25(20)31-26(30-24)27-18-8-10-19(11-9-18)33-15-13-32(2)14-16-33/h4-15,24,28H,1,16-23H2,2-3H3,(H,41,48)(H,43,49)(H2,39,40,42,44);4-14,19,21H,1,15-18,20H2,2-3H3,(H,37,43)(H,39,44)(H2,35,36,38,40);4-15,21H,1,16-20H2,2-3H3,(H,38,43)(H,39,44)(H2,35,36,37,40);4-15,21H,1,16-20H2,2-3H3,(H,37,43)(H,39,44)(H2,35,36,38,40);3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
InChIKeyITPKANMEWDYKIL-UHFFFAOYSA-N
MW2999.32 g/mol
LogP29.34
Rot. Bonds47

About N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide (PubChem CID 167593763) has the molecular formula C162H174Cl4N40O9S and a molecular weight of 2999.32 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
PubChem CID167593763
Molecular FormulaC162H174Cl4N40O9S
Molecular Weight2999.32 g/mol
Exact Mass2995.29
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CNc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2Cl)cc1.C=CC(=O)Nc1cccc(CNc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2Cl)c1.C=CC(=O)Nc1ccccc1CNc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1Cl.C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1Cl.C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)nc2sccc12
InChIInChI=1S/C37H42ClN9O2.3C33H35ClN8O2.C26H27N7OS/c1-4-33(48)41-31-10-5-6-11-32(31)42-35-29(36(49)43-34-25(2)8-7-9-30(34)38)24-39-37(44-35)40-26-12-14-27(15-13-26)46-18-16-28(17-19-46)47-22-20-45(3)21-23-47;1-4-29(43)37-25-9-6-8-23(19-25)20-35-31-27(32(44)39-30-22(2)7-5-10-28(30)34)21-36-33(40-31)38-24-11-13-26(14-12-24)42-17-15-41(3)16-18-42;1-4-29(43)38-28-11-6-5-9-23(28)20-35-31-26(32(44)39-30-22(2)8-7-10-27(30)34)21-36-33(40-31)37-24-12-14-25(15-13-24)42-18-16-41(3)17-19-42;1-4-29(43)37-24-10-8-23(9-11-24)20-35-31-27(32(44)39-30-22(2)6-5-7-28(30)34)21-36-33(40-31)38-25-12-14-26(15-13-25)42-18-16-41(3)17-19-42;1-3-23(34)28-21-6-4-5-7-22(21)29-24-20-12-17-35-25(20)31-26(30-24)27-18-8-10-19(11-9-18)33-15-13-32(2)14-16-33/h4-15,24,28H,1,16-23H2,2-3H3,(H,41,48)(H,43,49)(H2,39,40,42,44);4-14,19,21H,1,15-18,20H2,2-3H3,(H,37,43)(H,39,44)(H2,35,36,38,40);4-15,21H,1,16-20H2,2-3H3,(H,38,43)(H,39,44)(H2,35,36,37,40);4-15,21H,1,16-20H2,2-3H3,(H,37,43)(H,39,44)(H2,35,36,38,40);3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
InChIKeyITPKANMEWDYKIL-UHFFFAOYSA-N
XLogP29.34
TPSA546.74 Ų
H-Bond Donors19
H-Bond Acceptors41
Rotatable Bonds47
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002999.32
LogP ≤ 529.34
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide with MolForge

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Related Compounds

4-[2-(buta-1,3-dien-2-ylamino)anilino]-N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide;N-[2-[[5-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[2-[[5-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-5-thiophen-2-ylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 167556522
N-[2-[[6-amino-5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[5-methyl-2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-6-methylphenyl]prop-2-enamide
CID 167660949

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide (CID 167593763) is N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CNc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2Cl)cc1.C=CC(=O)Nc1cccc(CNc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2Cl)c1.C=CC(=O)Nc1ccccc1CNc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1Cl.C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1Cl.C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)nc2sccc12.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
The InChIKey is ITPKANMEWDYKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42ClN9O2.3C33H35ClN8O2.C26H27N7OS/c1-4-33(48)41-31-10-5-6-11-32(31)42-35-29(36(49)43-34-25(2)8-7-9-30(34)38)24-39-37(44-35)40-26-12-14-27(15-13-26)46-18-16-28(17-19-46)47-22-20-45(3)21-23-47;1-4-29(43)37-25-9-6-8-23(19-25)20-35-31-27(32(44)39-30-22(2)7-5-10-28(30)34)21-36-33(40-31)38-24-11-13-26(14-12-24)42-17-15-41(3)16-18-42;1-4-29(43)38-28-11-6-5-9-23(28)20-35-31-26(32(44)39-30-22(2)8-7-10-27(30)34)21-36-33(40-31)37-24-12-14-25(15-13-24)42-18-16-41(3)17-19-42;1-4-29(43)37-24-10-8-23(9-11-24)20-35-31-27(32(44)39-30-22(2)6-5-7-28(30)34)21-36-33(40-31)38-25-12-14-26(15-13-25)42-18-16-41(3)17-19-42;1-3-23(34)28-21-6-4-5-7-22(21)29-24-20-12-17-35-25(20)31-26(30-24)27-18-8-10-19(11-9-18)33-15-13-32(2)14-16-33/h4-15,24,28H,1,16-23H2,2-3H3,(H,41,48)(H,43,49)(H2,39,40,42,44);4-14,19,21H,1,15-18,20H2,2-3H3,(H,37,43)(H,39,44)(H2,35,36,38,40);4-15,21H,1,16-20H2,2-3H3,(H,38,43)(H,39,44)(H2,35,36,37,40);4-15,21H,1,16-20H2,2-3H3,(H,37,43)(H,39,44)(H2,35,36,38,40);3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?
N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide has a molecular weight of 2999.32 g/mol, XLogP of 29.34, 47 rotatable bonds, 19 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[2-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[[4-(prop-2-enoylamino)phenyl]methylamino]pyrimidine-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 167593763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).