4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide

C126H126Cl8F2N28O6 — CID 161137860

IUPAC4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide
SMILESCc1c(-c2cc(NCCc3ccc(C(N)=O)cc3)nc(N)n2)ccc(Cl)c1Cl.Cc1c(Cl)cc(Cl)cc1-c1cc(CCCc2ccc(C(N)=O)cc2)nc(N)n1.Cc1c(Cl)ccc(-c2cc(NCCc3ccc(C(N)=O)cc3)nc(N)n2)c1C.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)C(C)(C)C)c2)nc(N)n1.Cc1cc(Cl)cc(-c2cc(CCCc3ccc(C(N)=O)cc3)nc(N)n2)c1F.NC(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3F)nc(N)n2)cc1
InChIInChI=1S/C24H28ClN5O.C21H20Cl2N4O.C21H20ClFN4O.C21H22ClN5O.C20H19Cl2N5O.C19H17ClFN5O/c1-15-18(9-6-10-19(15)25)20-14-21(30-23(26)29-20)27-12-11-16-7-5-8-17(13-16)28-22(31)24(2,3)4;1-12-17(9-15(22)10-18(12)23)19-11-16(26-21(25)27-19)4-2-3-13-5-7-14(8-6-13)20(24)28;1-12-9-15(22)10-17(19(12)23)18-11-16(26-21(25)27-18)4-2-3-13-5-7-14(8-6-13)20(24)28;1-12-13(2)17(22)8-7-16(12)18-11-19(27-21(24)26-18)25-10-9-14-3-5-15(6-4-14)20(23)28;1-11-14(6-7-15(21)18(11)22)16-10-17(27-20(24)26-16)25-9-8-12-2-4-13(5-3-12)19(23)28;20-14-3-1-2-13(17(14)21)15-10-16(26-19(23)25-15)24-9-8-11-4-6-12(7-5-11)18(22)27/h5-10,13-14H,11-12H2,1-4H3,(H,28,31)(H3,26,27,29,30);2*5-11H,2-4H2,1H3,(H2,24,28)(H2,25,26,27);3-8,11H,9-10H2,1-2H3,(H2,23,28)(H3,24,25,26,27);2-7,10H,8-9H2,1H3,(H2,23,28)(H3,24,25,26,27);1-7,10H,8-9H2,(H2,22,27)(H3,23,24,25,26)
InChIKeyUNAOXTKOVWSESO-UHFFFAOYSA-N
MW2450.20 g/mol
LogP25.16
Rot. Bonds36

About 4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide

4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide (PubChem CID 161137860) has the molecular formula C126H126Cl8F2N28O6 and a molecular weight of 2450.20 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide.

Molecular Properties

Compound Name4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide
PubChem CID161137860
Molecular FormulaC126H126Cl8F2N28O6
Molecular Weight2450.20 g/mol
Exact Mass2444.79
IUPAC Name4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide
SMILESCc1c(-c2cc(NCCc3ccc(C(N)=O)cc3)nc(N)n2)ccc(Cl)c1Cl.Cc1c(Cl)cc(Cl)cc1-c1cc(CCCc2ccc(C(N)=O)cc2)nc(N)n1.Cc1c(Cl)ccc(-c2cc(NCCc3ccc(C(N)=O)cc3)nc(N)n2)c1C.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)C(C)(C)C)c2)nc(N)n1.Cc1cc(Cl)cc(-c2cc(CCCc3ccc(C(N)=O)cc3)nc(N)n2)c1F.NC(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3F)nc(N)n2)cc1
InChIInChI=1S/C24H28ClN5O.C21H20Cl2N4O.C21H20ClFN4O.C21H22ClN5O.C20H19Cl2N5O.C19H17ClFN5O/c1-15-18(9-6-10-19(15)25)20-14-21(30-23(26)29-20)27-12-11-16-7-5-8-17(13-16)28-22(31)24(2,3)4;1-12-17(9-15(22)10-18(12)23)19-11-16(26-21(25)27-19)4-2-3-13-5-7-14(8-6-13)20(24)28;1-12-9-15(22)10-17(19(12)23)18-11-16(26-21(25)27-18)4-2-3-13-5-7-14(8-6-13)20(24)28;1-12-13(2)17(22)8-7-16(12)18-11-19(27-21(24)26-18)25-10-9-14-3-5-15(6-4-14)20(23)28;1-11-14(6-7-15(21)18(11)22)16-10-17(27-20(24)26-16)25-9-8-12-2-4-13(5-3-12)19(23)28;20-14-3-1-2-13(17(14)21)15-10-16(26-19(23)25-15)24-9-8-11-4-6-12(7-5-11)18(22)27/h5-10,13-14H,11-12H2,1-4H3,(H,28,31)(H3,26,27,29,30);2*5-11H,2-4H2,1H3,(H2,24,28)(H2,25,26,27);3-8,11H,9-10H2,1-2H3,(H2,23,28)(H3,24,25,26,27);2-7,10H,8-9H2,1H3,(H2,23,28)(H3,24,25,26,27);1-7,10H,8-9H2,(H2,22,27)(H3,23,24,25,26)
InChIKeyUNAOXTKOVWSESO-UHFFFAOYSA-N
XLogP25.16
TPSA603.47 Ų
H-Bond Donors16
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002450.20
LogP ≤ 525.16
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1028

Analyze 4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide with MolForge

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Related Compounds

N-[1-[5,7-bis(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide
CID 87611673
N-(2-chloropyrimidin-5-yl)benzamide;N-(2-chloropyrimidin-5-yl)-3,4-difluorobenzamide;N-(2-chloropyrimidin-5-yl)-3-fluorobenzamide;N-(2-chloropyrimidin-5-yl)-3-fluoro-4-(trifluoromethyl)benzamide;N-(2-chloropyrimidin-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide;N-(2-chloropyrimidin-5-yl)-3-(trifluoromethyl)benzamide;N-(2-chloropyrimidin-5-yl)-4-(trifluoromethyl)benzamide;3,4-dichloro-N-(2-chloropyrimidin-5-yl)benzamide
CID 159384697
6-amino-5-chloro-N-[5-[2-(3-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-(4-chlorophenyl)acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-phenylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-2-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-(2-pyridin-3-ylacetyl)phenyl]pyrimidine-4-carboxamide;6-amino-5-chloro-N-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pyrimidine-4-carboxamide
CID 160618236
(3,4-dichlorophenyl)-[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-(3-methylphenyl)methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[3-(trifluoromethyl)phenyl]methanone;[2-(methylamino)spiro[5H-benzo[h]quinazoline-6,4'-piperidine]-1'-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 160668244
2-[3-[[4-(3-chloro-2-fluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone
CID 160779143
6-[2-Chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[3-fluoro-4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-5-pyridin-2-ylphenyl)-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-5-pyrimidin-2-ylphenyl)-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 157563243
N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-fluoro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-3-ylbenzamide
CID 158057261
1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;6-(3-chlorophenyl)-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-phenylpropyl)pyrimidin-2-amine;6-(3H-inden-1-yl)-4-N-methylpyrimidine-2,4-diamine;6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 158086644
N-(2-chloro-4-methylphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(3,5-dichloro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2-fluoro-4-methylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-phenylpyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,3,4-trimethylphenyl)pyrimidine-4-carboxamide;6-(cyclohexylamino)-N-(2,4,5-trimethylphenyl)pyrimidine-4-carboxamide
CID 158088445
4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]cyclopropanecarboxamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
CID 158188002
1-Amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine
CID 158411144
N-[1-[5-[[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[[6-[4-[(4-chloro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-2-methyl-3-pyridin-3-ylbenzamide;N-[1-[5-[[4-[(4-fluoro-2-methyl-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]methyl]-2-pyridinyl]piperidin-4-yl]-2,4-dimethyl-3-pyridin-3-ylbenzamide
CID 158776296

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide?
The IUPAC name of 4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide (CID 161137860) is 4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide.
What is the SMILES notation for 4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide?
The canonical SMILES for 4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide is Cc1c(-c2cc(NCCc3ccc(C(N)=O)cc3)nc(N)n2)ccc(Cl)c1Cl.Cc1c(Cl)cc(Cl)cc1-c1cc(CCCc2ccc(C(N)=O)cc2)nc(N)n1.Cc1c(Cl)ccc(-c2cc(NCCc3ccc(C(N)=O)cc3)nc(N)n2)c1C.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NC(=O)C(C)(C)C)c2)nc(N)n1.Cc1cc(Cl)cc(-c2cc(CCCc3ccc(C(N)=O)cc3)nc(N)n2)c1F.NC(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3F)nc(N)n2)cc1.
What is the InChIKey of 4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide?
The InChIKey is UNAOXTKOVWSESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O.C21H20Cl2N4O.C21H20ClFN4O.C21H22ClN5O.C20H19Cl2N5O.C19H17ClFN5O/c1-15-18(9-6-10-19(15)25)20-14-21(30-23(26)29-20)27-12-11-16-7-5-8-17(13-16)28-22(31)24(2,3)4;1-12-17(9-15(22)10-18(12)23)19-11-16(26-21(25)27-19)4-2-3-13-5-7-14(8-6-13)20(24)28;1-12-9-15(22)10-17(19(12)23)18-11-16(26-21(25)27-18)4-2-3-13-5-7-14(8-6-13)20(24)28;1-12-13(2)17(22)8-7-16(12)18-11-19(27-21(24)26-18)25-10-9-14-3-5-15(6-4-14)20(23)28;1-11-14(6-7-15(21)18(11)22)16-10-17(27-20(24)26-16)25-9-8-12-2-4-13(5-3-12)19(23)28;20-14-3-1-2-13(17(14)21)15-10-16(26-19(23)25-15)24-9-8-11-4-6-12(7-5-11)18(22)27/h5-10,13-14H,11-12H2,1-4H3,(H,28,31)(H3,26,27,29,30);2*5-11H,2-4H2,1H3,(H2,24,28)(H2,25,26,27);3-8,11H,9-10H2,1-2H3,(H2,23,28)(H3,24,25,26,27);2-7,10H,8-9H2,1H3,(H2,23,28)(H3,24,25,26,27);1-7,10H,8-9H2,(H2,22,27)(H3,23,24,25,26).
What are the key properties of 4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide?
4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide has a molecular weight of 2450.20 g/mol, XLogP of 25.16, 36 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-amino-6-(4-chloro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[2-[[2-amino-6-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzamide;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2,2-dimethylpropanamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide is sourced from PubChem (CID 161137860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).