6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide

C60H54N12O2S2 — CID 143800769

IUPAC6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide
SMILESCN(C)CCNc1cc(C(=O)Nc2cccc(N(CCN(C)C)c3cc(C(=O)Nc4ccccc4-c4ncc(-c5ccccc5)s4)nc(-c4ccccc4)n3)c2-c2csc(-c3ccccc3)n2)nc(-c2ccccc2)n1
InChIInChI=1S/C60H54N12O2S2/c1-70(2)33-32-61-52-36-47(63-55(68-52)41-22-11-6-12-23-41)57(73)66-46-30-19-31-50(54(46)49-39-75-59(67-49)43-26-15-8-16-27-43)72(35-34-71(3)4)53-37-48(64-56(69-53)42-24-13-7-14-25-42)58(74)65-45-29-18-17-28-44(45)60-62-38-51(76-60)40-20-9-5-10-21-40/h5-31,36-39H,32-35H2,1-4H3,(H,65,74)(H,66,73)(H,61,63,68)
InChIKeySHNPPMOVZFPXSH-UHFFFAOYSA-N
MW1039.31 g/mol
LogP12.36
Rot. Bonds19

About 6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide

6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide (PubChem CID 143800769) has the molecular formula C60H54N12O2S2 and a molecular weight of 1039.31 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide
PubChem CID143800769
Molecular FormulaC60H54N12O2S2
Molecular Weight1039.31 g/mol
Exact Mass1038.39
IUPAC Name6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide
SMILESCN(C)CCNc1cc(C(=O)Nc2cccc(N(CCN(C)C)c3cc(C(=O)Nc4ccccc4-c4ncc(-c5ccccc5)s4)nc(-c4ccccc4)n3)c2-c2csc(-c3ccccc3)n2)nc(-c2ccccc2)n1
InChIInChI=1S/C60H54N12O2S2/c1-70(2)33-32-61-52-36-47(63-55(68-52)41-22-11-6-12-23-41)57(73)66-46-30-19-31-50(54(46)49-39-75-59(67-49)43-26-15-8-16-27-43)72(35-34-71(3)4)53-37-48(64-56(69-53)42-24-13-7-14-25-42)58(74)65-45-29-18-17-28-44(45)60-62-38-51(76-60)40-20-9-5-10-21-40/h5-31,36-39H,32-35H2,1-4H3,(H,65,74)(H,66,73)(H,61,63,68)
InChIKeySHNPPMOVZFPXSH-UHFFFAOYSA-N
XLogP12.36
TPSA157.29 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001039.31
LogP ≤ 512.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide 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

2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 25265679
5-[[5-[(4-Methylpiperazin-1-yl)methyl]thiophene-3-carbonyl]amino]-2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxamide
CID 118061694
N-[3-Adamantan-1-yl-5-(4-methyl-imidazol-1-yl)-phenyl]-4-methyl-3-(4-pyridin-3-yl-thiazol-2-ylamino)-benzamide
CID 54583990
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrimidine-4-carboxamide
CID 71718835
US10906896, Cpd 8290
CID 122650687
US10906896, Cpd 8280
CID 122650689
US10906896, Cpd 8270
CID 122650690
N-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 168268154
N-(3-fluorophenyl)-2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]-1,3-thiazole-4-carboxamide
CID 72708354
N-[3-(4-aminobutylamino)propyl]-2-[2-[2-(1,8-naphthyridine-2-carbonylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CID 172470852
6-[(2,4-difluorophenyl)methylamino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[5-(trifluoromethyl)pyridin-3-yl]pyrimidine-4-carboxamide
CID 71204090
6-[2-(1-Acetylpyrrolidin-2-yl)-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 71249800

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide (CID 143800769) is 6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide is CN(C)CCNc1cc(C(=O)Nc2cccc(N(CCN(C)C)c3cc(C(=O)Nc4ccccc4-c4ncc(-c5ccccc5)s4)nc(-c4ccccc4)n3)c2-c2csc(-c3ccccc3)n2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is SHNPPMOVZFPXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N12O2S2/c1-70(2)33-32-61-52-36-47(63-55(68-52)41-22-11-6-12-23-41)57(73)66-46-30-19-31-50(54(46)49-39-75-59(67-49)43-26-15-8-16-27-43)72(35-34-71(3)4)53-37-48(64-56(69-53)42-24-13-7-14-25-42)58(74)65-45-29-18-17-28-44(45)60-62-38-51(76-60)40-20-9-5-10-21-40/h5-31,36-39H,32-35H2,1-4H3,(H,65,74)(H,66,73)(H,61,63,68).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide?
6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 1039.31 g/mol, XLogP of 12.36, 19 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-N-[3-[2-(dimethylamino)ethyl-[2-phenyl-6-[[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]carbamoyl]pyrimidin-4-yl]amino]-2-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 143800769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).