N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine

C121H139F16N23O8S2 — CID 158909992

IUPACN-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCC(=O)N1CCC(CNc2ncnc(N(Cc3ccc(C(C)(F)F)cc3)C3CC3)c2F)CC1.CC(F)(F)c1ccc(CN(c2ncnc(NCC3(O)CCS(=O)(=O)CC3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCC3CCOCC3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(S(=O)(=O)NC4CC4)cc3)c2F)C2CC2)cc1.NC(=O)Cc1ccc(CNc2ncnc(N(C3CC3)C(c3ccc(C(F)(F)F)cc3)C3CC3)c2F)cc1
InChIInChI=1S/C27H27F4N5O.C26H28F3N5O2S.C24H30F3N5O.C22H27F3N4O3S.C22H27F3N4O/c28-23-25(33-14-17-3-1-16(2-4-17)13-22(32)37)34-15-35-26(23)36(21-11-12-21)24(18-5-6-18)19-7-9-20(10-8-19)27(29,30)31;1-26(28,29)19-6-2-18(3-7-19)15-34(21-10-11-21)25-23(27)24(31-16-32-25)30-14-17-4-12-22(13-5-17)37(35,36)33-20-8-9-20;1-16(33)31-11-9-17(10-12-31)13-28-22-21(25)23(30-15-29-22)32(20-7-8-20)14-18-3-5-19(6-4-18)24(2,26)27;1-21(24,25)16-4-2-15(3-5-16)12-29(17-6-7-17)20-18(23)19(27-14-28-20)26-13-22(30)8-10-33(31,32)11-9-22;1-22(24,25)17-4-2-16(3-5-17)13-29(18-6-7-18)21-19(23)20(27-14-28-21)26-12-15-8-10-30-11-9-15/h1-4,7-10,15,18,21,24H,5-6,11-14H2,(H2,32,37)(H,33,34,35);2-7,12-13,16,20-21,33H,8-11,14-15H2,1H3,(H,30,31,32);3-6,15,17,20H,7-14H2,1-2H3,(H,28,29,30);2-5,14,17,30H,6-13H2,1H3,(H,26,27,28);2-5,14-15,18H,6-13H2,1H3,(H,26,27,28)
InChIKeyJGNHCKXCCPDRKQ-UHFFFAOYSA-N
MW2411.70 g/mol
LogP22.89
Rot. Bonds45

About N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine

N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 158909992) has the molecular formula C121H139F16N23O8S2 and a molecular weight of 2411.70 g/mol. Its IUPAC name is N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound NameN-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID158909992
Molecular FormulaC121H139F16N23O8S2
Molecular Weight2411.70 g/mol
Exact Mass2410.04
IUPAC NameN-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCC(=O)N1CCC(CNc2ncnc(N(Cc3ccc(C(C)(F)F)cc3)C3CC3)c2F)CC1.CC(F)(F)c1ccc(CN(c2ncnc(NCC3(O)CCS(=O)(=O)CC3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCC3CCOCC3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(S(=O)(=O)NC4CC4)cc3)c2F)C2CC2)cc1.NC(=O)Cc1ccc(CNc2ncnc(N(C3CC3)C(c3ccc(C(F)(F)F)cc3)C3CC3)c2F)cc1
InChIInChI=1S/C27H27F4N5O.C26H28F3N5O2S.C24H30F3N5O.C22H27F3N4O3S.C22H27F3N4O/c28-23-25(33-14-17-3-1-16(2-4-17)13-22(32)37)34-15-35-26(23)36(21-11-12-21)24(18-5-6-18)19-7-9-20(10-8-19)27(29,30)31;1-26(28,29)19-6-2-18(3-7-19)15-34(21-10-11-21)25-23(27)24(31-16-32-25)30-14-17-4-12-22(13-5-17)37(35,36)33-20-8-9-20;1-16(33)31-11-9-17(10-12-31)13-28-22-21(25)23(30-15-29-22)32(20-7-8-20)14-18-3-5-19(6-4-18)24(2,26)27;1-21(24,25)16-4-2-15(3-5-16)12-29(17-6-7-17)20-18(23)19(27-14-28-20)26-13-22(30)8-10-33(31,32)11-9-22;1-22(24,25)17-4-2-16(3-5-17)13-29(18-6-7-18)21-19(23)20(27-14-28-21)26-12-15-8-10-30-11-9-15/h1-4,7-10,15,18,21,24H,5-6,11-14H2,(H2,32,37)(H,33,34,35);2-7,12-13,16,20-21,33H,8-11,14-15H2,1H3,(H,30,31,32);3-6,15,17,20H,7-14H2,1-2H3,(H,28,29,30);2-5,14,17,30H,6-13H2,1H3,(H,26,27,28);2-5,14-15,18H,6-13H2,1H3,(H,26,27,28)
InChIKeyJGNHCKXCCPDRKQ-UHFFFAOYSA-N
XLogP22.89
TPSA378.42 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds45
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002411.70
LogP ≤ 522.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine 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

4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]thian-4-ol;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(4-methoxyoxan-4-yl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 157298359
5-fluoro-N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-amine;5-fluoro-N-[(4-fluorooxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-amine;1-[4-fluoro-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 158577919
N-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-amine;6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoro-N-[(3-methyloxetan-3-yl)methyl]pyrimidin-4-amine;4-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-1-oxothian-4-ol;1-[4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;hydrate
CID 158809073
4-N-cyclopropyl-4-N-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]-5-fluoro-6-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-yl]acetic acid;4-N-cyclopropyl-5-fluoro-6-N-[(4-methyl-1-methylsulfonylpiperidin-4-yl)methyl]-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 159148807
N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 159272584
2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]acetic acid;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-6-N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-5-fluoropyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-6-N-[(1,1-dioxothian-4-yl)methyl]-5-fluoropyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(4-methylcyclohexyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(4-propan-2-ylcyclohexyl)methyl]pyrimidine-4,6-diamine
CID 159550637
4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]thian-4-ol;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(4-methoxyoxan-4-yl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(4-methylcyclohexyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(4-propan-2-ylcyclohexyl)methyl]pyrimidine-4,6-diamine
CID 161066942
2-[4-[[[6-[benzyl(cyclopropyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;1-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4,4-difluorocyclohexan-1-ol;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(2-methoxycyclohexyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine;4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-N-(oxetan-3-yl)pyrimidine-4,6-diamine
CID 161884025

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine (CID 158909992) is N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine is CC(=O)N1CCC(CNc2ncnc(N(Cc3ccc(C(C)(F)F)cc3)C3CC3)c2F)CC1.CC(F)(F)c1ccc(CN(c2ncnc(NCC3(O)CCS(=O)(=O)CC3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCC3CCOCC3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(S(=O)(=O)NC4CC4)cc3)c2F)C2CC2)cc1.NC(=O)Cc1ccc(CNc2ncnc(N(C3CC3)C(c3ccc(C(F)(F)F)cc3)C3CC3)c2F)cc1.
What is the InChIKey of N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is JGNHCKXCCPDRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F4N5O.C26H28F3N5O2S.C24H30F3N5O.C22H27F3N4O3S.C22H27F3N4O/c28-23-25(33-14-17-3-1-16(2-4-17)13-22(32)37)34-15-35-26(23)36(21-11-12-21)24(18-5-6-18)19-7-9-20(10-8-19)27(29,30)31;1-26(28,29)19-6-2-18(3-7-19)15-34(21-10-11-21)25-23(27)24(31-16-32-25)30-14-17-4-12-22(13-5-17)37(35,36)33-20-8-9-20;1-16(33)31-11-9-17(10-12-31)13-28-22-21(25)23(30-15-29-22)32(20-7-8-20)14-18-3-5-19(6-4-18)24(2,26)27;1-21(24,25)16-4-2-15(3-5-16)12-29(17-6-7-17)20-18(23)19(27-14-28-20)26-13-22(30)8-10-33(31,32)11-9-22;1-22(24,25)17-4-2-16(3-5-17)13-29(18-6-7-18)21-19(23)20(27-14-28-21)26-12-15-8-10-30-11-9-15/h1-4,7-10,15,18,21,24H,5-6,11-14H2,(H2,32,37)(H,33,34,35);2-7,12-13,16,20-21,33H,8-11,14-15H2,1H3,(H,30,31,32);3-6,15,17,20H,7-14H2,1-2H3,(H,28,29,30);2-5,14,17,30H,6-13H2,1H3,(H,26,27,28);2-5,14-15,18H,6-13H2,1H3,(H,26,27,28).
What are the key properties of N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine?
N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 2411.70 g/mol, XLogP of 22.89, 45 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;1-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 158909992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).