N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone

C139H156Cl6N24O9S3 — CID 159817988

IUPACN-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCC(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)N3CCCC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NS(=O)(=O)C(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NS(=O)(=O)CC(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2cccc(C(N)=O)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NS(=O)(=O)CC(C)C)c2)nc(N)n1
InChIInChI=1S/C25H27ClN4O.C24H29ClN4O2S.C23H28ClN5O2S.C23H27ClN4O2S.C23H24ClN3O.C21H21ClN4O/c1-17-21(8-5-9-22(17)26)23-16-20(28-25(27)29-23)7-4-6-18-10-12-19(13-11-18)24(31)30-14-2-3-15-30;1-16(2)15-32(30,31)29-19-12-10-18(11-13-19)6-4-7-20-14-23(28-24(26)27-20)21-8-5-9-22(25)17(21)3;1-15(2)14-32(30,31)29-18-7-4-6-17(12-18)10-11-26-22-13-21(27-23(25)28-22)19-8-5-9-20(24)16(19)3;1-15(2)31(29,30)28-18-12-10-17(11-13-18)6-4-7-19-14-22(27-23(25)26-19)20-8-5-9-21(24)16(20)3;1-3-22(28)17-12-10-16(11-13-17)6-4-7-18-14-21(27-23(25)26-18)19-8-5-9-20(24)15(19)2;1-13-17(9-4-10-18(13)22)19-12-16(25-21(24)26-19)8-3-6-14-5-2-7-15(11-14)20(23)27/h5,8-13,16H,2-4,6-7,14-15H2,1H3,(H2,27,28,29);5,8-14,16,29H,4,6-7,15H2,1-3H3,(H2,26,27,28);4-9,12-13,15,29H,10-11,14H2,1-3H3,(H3,25,26,27,28);5,8-15,28H,4,6-7H2,1-3H3,(H2,25,26,27);5,8-14H,3-4,6-7H2,1-2H3,(H2,25,26,27);2,4-5,7,9-12H,3,6,8H2,1H3,(H2,23,27)(H2,24,25,26)
InChIKeyNLWDQIQOZHWTAH-UHFFFAOYSA-N
MW2615.85 g/mol
LogP29.53
Rot. Bonds45

About N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone

N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 159817988) has the molecular formula C139H156Cl6N24O9S3 and a molecular weight of 2615.85 g/mol. Its IUPAC name is N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound NameN-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID159817988
Molecular FormulaC139H156Cl6N24O9S3
Molecular Weight2615.85 g/mol
Exact Mass2610.98
IUPAC NameN-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCC(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)N3CCCC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NS(=O)(=O)C(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NS(=O)(=O)CC(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2cccc(C(N)=O)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NS(=O)(=O)CC(C)C)c2)nc(N)n1
InChIInChI=1S/C25H27ClN4O.C24H29ClN4O2S.C23H28ClN5O2S.C23H27ClN4O2S.C23H24ClN3O.C21H21ClN4O/c1-17-21(8-5-9-22(17)26)23-16-20(28-25(27)29-23)7-4-6-18-10-12-19(13-11-18)24(31)30-14-2-3-15-30;1-16(2)15-32(30,31)29-19-12-10-18(11-13-19)6-4-7-20-14-23(28-24(26)27-20)21-8-5-9-22(25)17(21)3;1-15(2)14-32(30,31)29-18-7-4-6-17(12-18)10-11-26-22-13-21(27-23(25)28-22)19-8-5-9-20(24)16(19)3;1-15(2)31(29,30)28-18-12-10-17(11-13-18)6-4-7-19-14-22(27-23(25)26-19)20-8-5-9-21(24)16(20)3;1-3-22(28)17-12-10-16(11-13-17)6-4-7-18-14-21(27-23(25)26-18)19-8-5-9-20(24)15(19)2;1-13-17(9-4-10-18(13)22)19-12-16(25-21(24)26-19)8-3-6-14-5-2-7-15(11-14)20(23)27/h5,8-13,16H,2-4,6-7,14-15H2,1H3,(H2,27,28,29);5,8-14,16,29H,4,6-7,15H2,1-3H3,(H2,26,27,28);4-9,12-13,15,29H,10-11,14H2,1-3H3,(H3,25,26,27,28);5,8-15,28H,4,6-7H2,1-3H3,(H2,25,26,27);5,8-14H,3-4,6-7H2,1-2H3,(H2,25,26,27);2,4-5,7,9-12H,3,6,8H2,1H3,(H2,23,27)(H2,24,25,26)
InChIKeyNLWDQIQOZHWTAH-UHFFFAOYSA-N
XLogP29.53
TPSA541.81 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds45
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002615.85
LogP ≤ 529.53
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 158771669
4-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide;4-(2,6-dichloropyrimidin-4-yl)morpholine;N-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 159499560
6-[2-(4-Acetylcyclohexyl)-4-methylphenyl]-8-(4-methylsulfonylcyclohexyl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(1-acetylpiperidin-3-yl)-2-chlorophenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-acetylpiperidin-2-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 158179724
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
4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 158757722
1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]butane-2,3-dione;1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]but-3-yn-2-one;(E)-1-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;5-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]pent-1-en-3-one;3-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-1-phenylpropane-1,2-dione;N-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide;6-[3-(ethenylsulfonylmethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 159791118
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine
CID 160511408
4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine
CID 160751387
6-[2-Chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)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-methylphenyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-methyl-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-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 160812599
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzonitrile;N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;4-ethyl-6-(2-phenylethynyl)pyrimidin-2-amine
CID 160926863
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-methylpropane-1-sulfonamide;1-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-3-propan-2-ylurea;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;tert-butyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
CID 161413225
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenecarbothioamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-ethylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;[4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylanilino)propyl]pyrimidine-2,4-diamine
CID 161534941

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone (CID 159817988) is N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone is CCC(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)N3CCCC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NS(=O)(=O)C(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(NS(=O)(=O)CC(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2cccc(C(N)=O)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(NS(=O)(=O)CC(C)C)c2)nc(N)n1.
What is the InChIKey of N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is NLWDQIQOZHWTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O.C24H29ClN4O2S.C23H28ClN5O2S.C23H27ClN4O2S.C23H24ClN3O.C21H21ClN4O/c1-17-21(8-5-9-22(17)26)23-16-20(28-25(27)29-23)7-4-6-18-10-12-19(13-11-18)24(31)30-14-2-3-15-30;1-16(2)15-32(30,31)29-19-12-10-18(11-13-19)6-4-7-20-14-23(28-24(26)27-20)21-8-5-9-22(25)17(21)3;1-15(2)14-32(30,31)29-18-7-4-6-17(12-18)10-11-26-22-13-21(27-23(25)28-22)19-8-5-9-20(24)16(19)3;1-15(2)31(29,30)28-18-12-10-17(11-13-18)6-4-7-19-14-22(27-23(25)26-19)20-8-5-9-21(24)16(20)3;1-3-22(28)17-12-10-16(11-13-17)6-4-7-18-14-21(27-23(25)26-18)19-8-5-9-20(24)15(19)2;1-13-17(9-4-10-18(13)22)19-12-16(25-21(24)26-19)8-3-6-14-5-2-7-15(11-14)20(23)27/h5,8-13,16H,2-4,6-7,14-15H2,1H3,(H2,27,28,29);5,8-14,16,29H,4,6-7,15H2,1-3H3,(H2,26,27,28);4-9,12-13,15,29H,10-11,14H2,1-3H3,(H3,25,26,27,28);5,8-15,28H,4,6-7H2,1-3H3,(H2,25,26,27);5,8-14H,3-4,6-7H2,1-2H3,(H2,25,26,27);2,4-5,7,9-12H,3,6,8H2,1H3,(H2,23,27)(H2,24,25,26).
What are the key properties of N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone?
N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 2615.85 g/mol, XLogP of 29.53, 45 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-methylpropane-1-sulfonamide;3-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propane-2-sulfonamide;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]propan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 159817988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).