N-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide

C108H110N26O8 — CID 162259946

IUPACN-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5ccccc5C)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5cccnc5)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5cn[nH]c5)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)n2)cc1
InChIInChI=1S/C30H30N6O2.C28H27N7O2.C26H26N8O2.C24H27N5O2/c1-21-5-3-4-6-27(21)29(38)36-19-17-35(18-20-36)26-13-11-25(12-14-26)33-30-31-16-15-28(34-30)23-7-9-24(10-8-23)32-22(2)37;1-20(36)31-23-6-4-21(5-7-23)26-12-14-30-28(33-26)32-24-8-10-25(11-9-24)34-15-17-35(18-16-34)27(37)22-3-2-13-29-19-22;1-18(35)30-21-4-2-19(3-5-21)24-10-11-27-26(32-24)31-22-6-8-23(9-7-22)33-12-14-34(15-13-33)25(36)20-16-28-29-17-20;1-16-14-29(15-17(2)31-16)22-10-8-21(9-11-22)27-24-25-13-12-23(28-24)19-4-6-20(7-5-19)26-18(3)30/h3-16H,17-20H2,1-2H3,(H,32,37)(H,31,33,34);2-14,19H,15-18H2,1H3,(H,31,36)(H,30,32,33);2-11,16-17H,12-15H2,1H3,(H,28,29)(H,30,35)(H,27,31,32);4-13,16-17H,14-15H2,1-3H3,(H,26,30)(H,25,27,28)/t;;;16-,17+
InChIKeyZZCJTABBVXPYRU-YXSFPPBUSA-N
MW1900.24 g/mol
LogP17.31
Rot. Bonds23

About N-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide

N-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 162259946) has the molecular formula C108H110N26O8 and a molecular weight of 1900.24 g/mol. Its IUPAC name is N-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide
PubChem CID162259946
Molecular FormulaC108H110N26O8
Molecular Weight1900.24 g/mol
Exact Mass1898.90
IUPAC NameN-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5ccccc5C)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5cccnc5)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5cn[nH]c5)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)n2)cc1
InChIInChI=1S/C30H30N6O2.C28H27N7O2.C26H26N8O2.C24H27N5O2/c1-21-5-3-4-6-27(21)29(38)36-19-17-35(18-20-36)26-13-11-25(12-14-26)33-30-31-16-15-28(34-30)23-7-9-24(10-8-23)32-22(2)37;1-20(36)31-23-6-4-21(5-7-23)26-12-14-30-28(33-26)32-24-8-10-25(11-9-24)34-15-17-35(18-16-34)27(37)22-3-2-13-29-19-22;1-18(35)30-21-4-2-19(3-5-21)24-10-11-27-26(32-24)31-22-6-8-23(9-7-22)33-12-14-34(15-13-33)25(36)20-16-28-29-17-20;1-16-14-29(15-17(2)31-16)22-10-8-21(9-11-22)27-24-25-13-12-23(28-24)19-4-6-20(7-5-19)26-18(3)30/h3-16H,17-20H2,1-2H3,(H,32,37)(H,31,33,34);2-14,19H,15-18H2,1H3,(H,31,36)(H,30,32,33);2-11,16-17H,12-15H2,1H3,(H,28,29)(H,30,35)(H,27,31,32);4-13,16-17H,14-15H2,1-3H3,(H,26,30)(H,25,27,28)/t;;;16-,17+
InChIKeyZZCJTABBVXPYRU-YXSFPPBUSA-N
XLogP17.31
TPSA392.33 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001900.24
LogP ≤ 517.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide (CID 162259946) is N-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5ccccc5C)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5cccnc5)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5cn[nH]c5)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)n2)cc1.
What is the InChIKey of N-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is ZZCJTABBVXPYRU-YXSFPPBUSA-N. The full InChI is InChI=1S/C30H30N6O2.C28H27N7O2.C26H26N8O2.C24H27N5O2/c1-21-5-3-4-6-27(21)29(38)36-19-17-35(18-20-36)26-13-11-25(12-14-26)33-30-31-16-15-28(34-30)23-7-9-24(10-8-23)32-22(2)37;1-20(36)31-23-6-4-21(5-7-23)26-12-14-30-28(33-26)32-24-8-10-25(11-9-24)34-15-17-35(18-16-34)27(37)22-3-2-13-29-19-22;1-18(35)30-21-4-2-19(3-5-21)24-10-11-27-26(32-24)31-22-6-8-23(9-7-22)33-12-14-34(15-13-33)25(36)20-16-28-29-17-20;1-16-14-29(15-17(2)31-16)22-10-8-21(9-11-22)27-24-25-13-12-23(28-24)19-4-6-20(7-5-19)26-18(3)30/h3-16H,17-20H2,1-2H3,(H,32,37)(H,31,33,34);2-14,19H,15-18H2,1H3,(H,31,36)(H,30,32,33);2-11,16-17H,12-15H2,1H3,(H,28,29)(H,30,35)(H,27,31,32);4-13,16-17H,14-15H2,1-3H3,(H,26,30)(H,25,27,28)/t;;;16-,17+.
What are the key properties of N-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide?
N-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 1900.24 g/mol, XLogP of 17.31, 23 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(2-methylbenzoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 162259946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).