N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine

C125H133F17N28O4S — CID 159243043

IUPACN-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine
SMILESCC(F)(F)c1ccc(CN(c2ncnc(NCC3CCC(NS(=O)(=O)CC(F)(F)F)CC3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(Cc4nn[nH]n4)cc3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc3c2ccn3Cc2ccc(CC(N)=O)cc2)C2CC2)cc1.Cc1ccc(CNc2ncnc(N(Cc3ccc(C(C)(F)F)cc3)C3CC3)c2F)cn1
InChIInChI=1S/C27H27F2N5O.C25H31F6N5O2S.C25H25F3N8.C25H26F3N5O.C23H24F3N5/c1-27(28,29)21-8-6-20(7-9-21)16-34(22-10-11-22)26-23-12-13-33(25(23)31-17-32-26)15-19-4-2-18(3-5-19)14-24(30)35;1-24(27,28)18-6-2-17(3-7-18)13-36(20-10-11-20)23-21(26)22(33-15-34-23)32-12-16-4-8-19(9-5-16)35-39(37,38)14-25(29,30)31;1-25(27,28)19-8-6-18(7-9-19)14-36(20-10-11-20)24-22(26)23(30-15-31-24)29-13-17-4-2-16(3-5-17)12-21-32-34-35-33-21;1-25(27,28)19-8-6-18(7-9-19)14-33(20-10-11-20)24-22(26)23(31-15-32-24)30-13-17-4-2-16(3-5-17)12-21(29)34;1-15-3-4-17(11-27-15)12-28-21-20(24)22(30-14-29-21)31(19-9-10-19)13-16-5-7-18(8-6-16)23(2,25)26/h2-9,12-13,17,22H,10-11,14-16H2,1H3,(H2,30,35);2-3,6-7,15-16,19-20,35H,4-5,8-14H2,1H3,(H,32,33,34);2-9,15,20H,10-14H2,1H3,(H,29,30,31)(H,32,33,34,35);2-9,15,20H,10-14H2,1H3,(H2,29,34)(H,30,31,32);3-8,11,14,19H,9-10,12-13H2,1-2H3,(H,28,29,30)
InChIKeyKUIJATXFXWWVRL-UHFFFAOYSA-N
MW2446.66 g/mol
LogP24.50
Rot. Bonds48

About N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine

N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine (PubChem CID 159243043) has the molecular formula C125H133F17N28O4S and a molecular weight of 2446.66 g/mol. Its IUPAC name is N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound NameN-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine
PubChem CID159243043
Molecular FormulaC125H133F17N28O4S
Molecular Weight2446.66 g/mol
Exact Mass2445.05
IUPAC NameN-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine
SMILESCC(F)(F)c1ccc(CN(c2ncnc(NCC3CCC(NS(=O)(=O)CC(F)(F)F)CC3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(Cc4nn[nH]n4)cc3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc3c2ccn3Cc2ccc(CC(N)=O)cc2)C2CC2)cc1.Cc1ccc(CNc2ncnc(N(Cc3ccc(C(C)(F)F)cc3)C3CC3)c2F)cn1
InChIInChI=1S/C27H27F2N5O.C25H31F6N5O2S.C25H25F3N8.C25H26F3N5O.C23H24F3N5/c1-27(28,29)21-8-6-20(7-9-21)16-34(22-10-11-22)26-23-12-13-33(25(23)31-17-32-26)15-19-4-2-18(3-5-19)14-24(30)35;1-24(27,28)18-6-2-17(3-7-18)13-36(20-10-11-20)23-21(26)22(33-15-34-23)32-12-16-4-8-19(9-5-16)35-39(37,38)14-25(29,30)31;1-25(27,28)19-8-6-18(7-9-19)14-36(20-10-11-20)24-22(26)23(30-15-31-24)29-13-17-4-2-16(3-5-17)12-21-32-34-35-33-21;1-25(27,28)19-8-6-18(7-9-19)14-33(20-10-11-20)24-22(26)23(31-15-32-24)30-13-17-4-2-16(3-5-17)12-21(29)34;1-15-3-4-17(11-27-15)12-28-21-20(24)22(30-14-29-21)31(19-9-10-19)13-16-5-7-18(8-6-16)23(2,25)26/h2-9,12-13,17,22H,10-11,14-16H2,1H3,(H2,30,35);2-3,6-7,15-16,19-20,35H,4-5,8-14H2,1H3,(H,32,33,34);2-9,15,20H,10-14H2,1H3,(H,29,30,31)(H,32,33,34,35);2-9,15,20H,10-14H2,1H3,(H2,29,34)(H,30,31,32);3-8,11,14,19H,9-10,12-13H2,1-2H3,(H,28,29,30)
InChIKeyKUIJATXFXWWVRL-UHFFFAOYSA-N
XLogP24.50
TPSA397.85 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds48
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002446.66
LogP ≤ 524.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine with MolForge

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

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Related Compounds

2-[4-[[[6-[[6-(Difluoromethyl)pyridin-3-yl]methyl-[2-[2-[(2,5-dimethylpyrazol-3-yl)methyl-[5-fluoro-6-[(1-methylsulfonylpiperidin-4-yl)methylamino]pyrimidin-4-yl]amino]cyclohexyl]cyclopropyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 132179961
N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 157828317
2-[6-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-pyridinyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrimidine-4,6-diamine;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-N-cyclopropyl-5-fluoro-6-N-[(3-methylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methyl]-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 158036679
N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine
CID 158317458
2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]acetonitrile;N-[[1-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]methyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1,1-trifluoromethanesulfonamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]pyrimidine-4,6-diamine;2-[4-[[[6-[cyclopropyl-[(4-ethynylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 158556989
N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine;2-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide
CID 158852523
2-[6-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-pyridinyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(2-methylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrimidine-4,6-diamine;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-N-cyclopropyl-5-fluoro-6-N-[(3-methylsulfonyl-3-azabicyclo[3.1.0]hexan-1-yl)methyl]-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine;1-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]propan-2-one
CID 159426358
2-[4-[[[6-[cyclopropyl-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[[6-(methyl-methylidene-oxo-lambda6-sulfanyl)-3-pyridinyl]methyl]-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-5-fluoro-4-N-[(4-pyrrol-1-ylphenyl)methyl]-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 159501569
[2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-2-oxoethyl]cyanamide;4-N-cyclopropyl-5-fluoro-6-N-[[6-(methyl-methylidene-oxo-lambda6-sulfanyl)-3-pyridinyl]methyl]-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-5-fluoro-4-N-[(4-pyrrol-1-ylphenyl)methyl]-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine;2-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 160327477
N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide;N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide;2-[4-[[[5-fluoro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 160440017
2-[4-[[[6-[cyclopropyl-[[2-(1,1-difluoroethyl)-4-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-fluoro-6-N-[(1-methylsulfonylazetidin-3-yl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-5-fluoro-6-N-[(8-methylsulfinyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine;N-cyclopropyl-5-fluoro-6-[(5-methylsulfonyl-5-azaspiro[2.4]heptan-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;methane
CID 160767237
cyclopropyl-[4-[2-[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]piperidin-1-yl]methanone;N-cyclopropyl-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-fluoro-2-[(6-methylsulfonyl-6-azaspiro[2.5]octan-2-yl)methyl]pyridin-4-amine;4-N-cyclopropyl-4-N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-fluoro-6-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine;2-[4-[[[6-[cyclopropyl-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 160877631

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine?
The IUPAC name of N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine (CID 159243043) is N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine?
The canonical SMILES for N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine is CC(F)(F)c1ccc(CN(c2ncnc(NCC3CCC(NS(=O)(=O)CC(F)(F)F)CC3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(Cc4nn[nH]n4)cc3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc3c2ccn3Cc2ccc(CC(N)=O)cc2)C2CC2)cc1.Cc1ccc(CNc2ncnc(N(Cc3ccc(C(C)(F)F)cc3)C3CC3)c2F)cn1.
What is the InChIKey of N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine?
The InChIKey is KUIJATXFXWWVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O.C25H31F6N5O2S.C25H25F3N8.C25H26F3N5O.C23H24F3N5/c1-27(28,29)21-8-6-20(7-9-21)16-34(22-10-11-22)26-23-12-13-33(25(23)31-17-32-26)15-19-4-2-18(3-5-19)14-24(30)35;1-24(27,28)18-6-2-17(3-7-18)13-36(20-10-11-20)23-21(26)22(33-15-34-23)32-12-16-4-8-19(9-5-16)35-39(37,38)14-25(29,30)31;1-25(27,28)19-8-6-18(7-9-19)14-36(20-10-11-20)24-22(26)23(30-15-31-24)29-13-17-4-2-16(3-5-17)12-21-32-34-35-33-21;1-25(27,28)19-8-6-18(7-9-19)14-33(20-10-11-20)24-22(26)23(31-15-32-24)30-13-17-4-2-16(3-5-17)12-21(29)34;1-15-3-4-17(11-27-15)12-28-21-20(24)22(30-14-29-21)31(19-9-10-19)13-16-5-7-18(8-6-16)23(2,25)26/h2-9,12-13,17,22H,10-11,14-16H2,1H3,(H2,30,35);2-3,6-7,15-16,19-20,35H,4-5,8-14H2,1H3,(H,32,33,34);2-9,15,20H,10-14H2,1H3,(H,29,30,31)(H,32,33,34,35);2-9,15,20H,10-14H2,1H3,(H2,29,34)(H,30,31,32);3-8,11,14,19H,9-10,12-13H2,1-2H3,(H,28,29,30).
What are the key properties of N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine?
N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine has a molecular weight of 2446.66 g/mol, XLogP of 24.50, 48 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 159243043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).