2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone

C108H139N23O12S — CID 158460243

IUPAC2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone
SMILESCCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CN)cc2)ncn1.COCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CN)cc2)ncn1.COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1.COCCN(c1cc(C(=O)Cc2ccc3[nH]ncc3c2)ncn1)C(C)C.Cc1cc(S(=O)(=O)NCCC(=O)OC(C)(C)C)ccc1CC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C30H42N4O5S.C20H26N4O2.C20H26N4O.C19H22N6O2.C19H23N5O2/c1-21-16-25(40(37,38)33-15-14-29(36)39-30(2,3)4)13-12-23(21)17-27(35)26-18-28(32-20-31-26)34(19-22-10-11-22)24-8-6-5-7-9-24;1-26-9-8-24(13-17-6-7-17)20-11-18(22-14-23-20)19(25)10-15-2-4-16(12-21)5-3-15;1-2-9-24(13-17-7-8-17)20-11-18(22-14-23-20)19(25)10-15-3-5-16(12-21)6-4-15;1-27-7-6-25(11-13-2-3-13)18-9-17(20-12-21-18)19(26)23-15-4-5-16-14(8-15)10-22-24-16;1-13(2)24(6-7-26-3)19-10-17(20-12-21-19)18(25)9-14-4-5-16-15(8-14)11-22-23-16/h12-13,16,18,20,22,24,33H,5-11,14-15,17,19H2,1-4H3;2-5,11,14,17H,6-10,12-13,21H2,1H3;3-6,11,14,17H,2,7-10,12-13,21H2,1H3;4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,22,24)(H,23,26);4-5,8,10-13H,6-7,9H2,1-3H3,(H,22,23)
InChIKeyHFBSSGKALHDJDB-UHFFFAOYSA-N
MW1983.52 g/mol
LogP15.09
Rot. Bonds47

About 2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone

2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone (PubChem CID 158460243) has the molecular formula C108H139N23O12S and a molecular weight of 1983.52 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone
PubChem CID158460243
Molecular FormulaC108H139N23O12S
Molecular Weight1983.52 g/mol
Exact Mass1982.07
IUPAC Name2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone
SMILESCCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CN)cc2)ncn1.COCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CN)cc2)ncn1.COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1.COCCN(c1cc(C(=O)Cc2ccc3[nH]ncc3c2)ncn1)C(C)C.Cc1cc(S(=O)(=O)NCCC(=O)OC(C)(C)C)ccc1CC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C30H42N4O5S.C20H26N4O2.C20H26N4O.C19H22N6O2.C19H23N5O2/c1-21-16-25(40(37,38)33-15-14-29(36)39-30(2,3)4)13-12-23(21)17-27(35)26-18-28(32-20-31-26)34(19-22-10-11-22)24-8-6-5-7-9-24;1-26-9-8-24(13-17-6-7-17)20-11-18(22-14-23-20)19(25)10-15-2-4-16(12-21)5-3-15;1-2-9-24(13-17-7-8-17)20-11-18(22-14-23-20)19(25)10-15-3-5-16(12-21)6-4-15;1-27-7-6-25(11-13-2-3-13)18-9-17(20-12-21-18)19(26)23-15-4-5-16-14(8-15)10-22-24-16;1-13(2)24(6-7-26-3)19-10-17(20-12-21-19)18(25)9-14-4-5-16-15(8-14)11-22-23-16/h12-13,16,18,20,22,24,33H,5-11,14-15,17,19H2,1-4H3;2-5,11,14,17H,6-10,12-13,21H2,1H3;3-6,11,14,17H,2,7-10,12-13,21H2,1H3;4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,22,24)(H,23,26);4-5,8,10-13H,6-7,9H2,1-3H3,(H,22,23)
InChIKeyHFBSSGKALHDJDB-UHFFFAOYSA-N
XLogP15.09
TPSA452.04 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds47
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001983.52
LogP ≤ 515.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone with MolForge

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Related Compounds

2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane
CID 157428308
3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;1-(4-methylphenyl)sulfonyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrrole-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylbenzamide
CID 157511728
N-[4-(aminomethyl)-2-methylphenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;4-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoic acid
CID 157575403
1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-indazol-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoic acid;3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoic acid;2-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate
CID 157962131
1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide
CID 158006476
6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[3-(1-hydroxyethenyl)azetidin-1-yl]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]but-3-enylsulfamoyl]phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[[(2-methyl-3-oxopentan-2-yl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethyl-2-methylphenyl)pyrimidine-4-carboxamide;N-(1H-indol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 158037836
2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
CID 158683769
4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methyl-N-[3-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzenesulfonamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethyl-2-methylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(4-ethylphenyl)ethanone;2-(1H-indol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone
CID 158985155
N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-4-carboxamide;N-(1H-indazol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 159136471
4-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]butanoic acid;4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-N,N,3-trimethylbenzenesulfonamide;1-[6-[cyclohexyl(2-methoxyethyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-cyclohexyloxy-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide;1-[6-(dipropylamino)pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;2-(1H-indazol-5-yl)-1-[6-[propan-2-yl(propyl)amino]pyrimidin-4-yl]ethanone
CID 159682079
N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate
CID 159908118
N-[4-(azetidin-1-ylmethyl)-2-methylphenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;bis(6-[cyclohexyl(2-methylpropyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide);6-[cyclohexyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclopentyl(2-methoxyethyl)amino]-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[3-(imidazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 160545579

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone (CID 158460243) is 2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone is CCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CN)cc2)ncn1.COCCN(CC1CC1)c1cc(C(=O)Cc2ccc(CN)cc2)ncn1.COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1.COCCN(c1cc(C(=O)Cc2ccc3[nH]ncc3c2)ncn1)C(C)C.Cc1cc(S(=O)(=O)NCCC(=O)OC(C)(C)C)ccc1CC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone?
The InChIKey is HFBSSGKALHDJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O5S.C20H26N4O2.C20H26N4O.C19H22N6O2.C19H23N5O2/c1-21-16-25(40(37,38)33-15-14-29(36)39-30(2,3)4)13-12-23(21)17-27(35)26-18-28(32-20-31-26)34(19-22-10-11-22)24-8-6-5-7-9-24;1-26-9-8-24(13-17-6-7-17)20-11-18(22-14-23-20)19(25)10-15-2-4-16(12-21)5-3-15;1-2-9-24(13-17-7-8-17)20-11-18(22-14-23-20)19(25)10-15-3-5-16(12-21)6-4-15;1-27-7-6-25(11-13-2-3-13)18-9-17(20-12-21-18)19(26)23-15-4-5-16-14(8-15)10-22-24-16;1-13(2)24(6-7-26-3)19-10-17(20-12-21-19)18(25)9-14-4-5-16-15(8-14)11-22-23-16/h12-13,16,18,20,22,24,33H,5-11,14-15,17,19H2,1-4H3;2-5,11,14,17H,6-10,12-13,21H2,1H3;3-6,11,14,17H,2,7-10,12-13,21H2,1H3;4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,22,24)(H,23,26);4-5,8,10-13H,6-7,9H2,1-3H3,(H,22,23).
What are the key properties of 2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone?
2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone has a molecular weight of 1983.52 g/mol, XLogP of 15.09, 47 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone is sourced from PubChem (CID 158460243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).