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

C114H123Cl4N31O6 — CID 167660949

IUPACN-[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
SMILESC=CC(=O)Nc1c(C)cccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl.C=CC(=O)Nc1ccc(C)cc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1Cl.C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)nc(N)c1Cl.C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccccc2N2CCN(C)CC2)ncc1C(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C33H35ClN8O2.C32H33ClN8O2.C25H28ClN7O.C24H27ClN8O/c1-5-29(43)37-27-14-9-21(2)19-28(27)38-31-25(32(44)39-30-22(3)7-6-8-26(30)34)20-35-33(40-31)36-23-10-12-24(13-11-23)42-17-15-41(4)16-18-42;1-4-28(42)35-24-12-5-6-13-25(24)36-30-22(31(43)38-29-21(2)10-9-11-23(29)33)20-34-32(39-30)37-26-14-7-8-15-27(26)41-18-16-40(3)17-19-41;1-4-22(34)30-23-17(2)6-5-7-21(23)29-24-20(26)16-27-25(31-24)28-18-8-10-19(11-9-18)33-14-12-32(3)13-15-33;1-3-20(34)28-18-6-4-5-7-19(18)29-23-21(25)22(26)30-24(31-23)27-16-8-10-17(11-9-16)33-14-12-32(2)13-15-33/h5-14,19-20H,1,15-18H2,2-4H3,(H,37,43)(H,39,44)(H2,35,36,38,40);4-15,20H,1,16-19H2,2-3H3,(H,35,42)(H,38,43)(H2,34,36,37,39);4-11,16H,1,12-15H2,2-3H3,(H,30,34)(H2,27,28,29,31);3-11H,1,12-15H2,2H3,(H,28,34)(H4,26,27,29,30,31)
InChIKeyRYJTUSOZRCEYQG-UHFFFAOYSA-N
MW2165.26 g/mol
LogP21.29
Rot. Bonds32

About 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

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 (PubChem CID 167660949) has the molecular formula C114H123Cl4N31O6 and a molecular weight of 2165.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID167660949
Molecular FormulaC114H123Cl4N31O6
Molecular Weight2165.26 g/mol
Exact Mass2161.90
IUPAC NameN-[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
SMILESC=CC(=O)Nc1c(C)cccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl.C=CC(=O)Nc1ccc(C)cc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1Cl.C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)nc(N)c1Cl.C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccccc2N2CCN(C)CC2)ncc1C(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C33H35ClN8O2.C32H33ClN8O2.C25H28ClN7O.C24H27ClN8O/c1-5-29(43)37-27-14-9-21(2)19-28(27)38-31-25(32(44)39-30-22(3)7-6-8-26(30)34)20-35-33(40-31)36-23-10-12-24(13-11-23)42-17-15-41(4)16-18-42;1-4-28(42)35-24-12-5-6-13-25(24)36-30-22(31(43)38-29-21(2)10-9-11-23(29)33)20-34-32(39-30)37-26-14-7-8-15-27(26)41-18-16-40(3)17-19-41;1-4-22(34)30-23-17(2)6-5-7-21(23)29-24-20(26)16-27-25(31-24)28-18-8-10-19(11-9-18)33-14-12-32(3)13-15-33;1-3-20(34)28-18-6-4-5-7-19(18)29-23-21(25)22(26)30-24(31-23)27-16-8-10-17(11-9-16)33-14-12-32(2)13-15-33/h5-14,19-20H,1,15-18H2,2-4H3,(H,37,43)(H,39,44)(H2,35,36,38,40);4-15,20H,1,16-19H2,2-3H3,(H,35,42)(H,38,43)(H2,34,36,37,39);4-11,16H,1,12-15H2,2-3H3,(H,30,34)(H2,27,28,29,31);3-11H,1,12-15H2,2H3,(H,28,34)(H4,26,27,29,30,31)
InChIKeyRYJTUSOZRCEYQG-UHFFFAOYSA-N
XLogP21.29
TPSA425.90 Ų
H-Bond Donors15
H-Bond Acceptors31
Rotatable Bonds32
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002165.26
LogP ≤ 521.29
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1031

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-[[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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[2-(propanoylamino)anilino]pyrimidine-5-carboxamide
CID 138857405
4-((2-Acrylamidophenyl)amino)-N-(2-chloro-6-methylphenyl)-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide
CID 154573782
N-(2,4-dichloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide
CID 155415443
N-(2-chloro-6-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide
CID 155415493
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide
CID 155415508
N-(2-chloro-6-methylphenyl)-2-[3-(4-methylpiperazin-1-yl)anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide
CID 155415513
N-(2-chloro-6-methylphenyl)-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide
CID 155415517
N-(2-chloro-4-cyano-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[2-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide
CID 155415561
4-[2-[(2-chloroacetyl)amino]anilino]-N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 155432267
N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[4-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide
CID 155432378
N-(2-chloro-6-methylphenyl)-4-[2-[[(E)-4-(dimethylamino)but-2-enoyl]amino]anilino]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 155432379
N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-4-[3-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide
CID 155432383

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)Nc1c(C)cccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl.C=CC(=O)Nc1ccc(C)cc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1Cl.C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)nc(N)c1Cl.C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccccc2N2CCN(C)CC2)ncc1C(=O)Nc1c(C)cccc1Cl.
What is the InChIKey of 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?
The InChIKey is RYJTUSOZRCEYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35ClN8O2.C32H33ClN8O2.C25H28ClN7O.C24H27ClN8O/c1-5-29(43)37-27-14-9-21(2)19-28(27)38-31-25(32(44)39-30-22(3)7-6-8-26(30)34)20-35-33(40-31)36-23-10-12-24(13-11-23)42-17-15-41(4)16-18-42;1-4-28(42)35-24-12-5-6-13-25(24)36-30-22(31(43)38-29-21(2)10-9-11-23(29)33)20-34-32(39-30)37-26-14-7-8-15-27(26)41-18-16-40(3)17-19-41;1-4-22(34)30-23-17(2)6-5-7-21(23)29-24-20(26)16-27-25(31-24)28-18-8-10-19(11-9-18)33-14-12-32(3)13-15-33;1-3-20(34)28-18-6-4-5-7-19(18)29-23-21(25)22(26)30-24(31-23)27-16-8-10-17(11-9-16)33-14-12-32(2)13-15-33/h5-14,19-20H,1,15-18H2,2-4H3,(H,37,43)(H,39,44)(H2,35,36,38,40);4-15,20H,1,16-19H2,2-3H3,(H,35,42)(H,38,43)(H2,34,36,37,39);4-11,16H,1,12-15H2,2-3H3,(H,30,34)(H2,27,28,29,31);3-11H,1,12-15H2,2H3,(H,28,34)(H4,26,27,29,30,31).
What are the key properties of 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?
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 has a molecular weight of 2165.26 g/mol, XLogP of 21.29, 32 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167660949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).