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

C94H112F13N17O10S2 — CID 158809073

IUPACN-[[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
SMILESCC(=O)N1CCC(CNc2ncnc(N3CCCCC3c3ccc(C(F)(F)F)cc3)c2F)CC1.CC(F)(F)c1ccc(C2COCCN2c2ncnc(NCC3(O)CCS(=O)CC3)c2F)cc1.CC(F)(F)c1ccc(C2COCCN2c2ncnc(NCc3ccc(S(=O)(=O)CC4CC4)cc3)c2F)cc1.CC1(CNc2ncnc(N3CCOCC3c3ccc(C(C)(F)F)cc3)c2F)COC1.O
InChIInChI=1S/C27H29F3N4O3S.C24H29F4N5O.C22H27F3N4O3S.C21H25F3N4O2.H2O/c1-27(29,30)21-8-6-20(7-9-21)23-15-37-13-12-34(23)26-24(28)25(32-17-33-26)31-14-18-4-10-22(11-5-18)38(35,36)16-19-2-3-19;1-16(34)32-12-9-17(10-13-32)14-29-22-21(25)23(31-15-30-22)33-11-3-2-4-20(33)18-5-7-19(8-6-18)24(26,27)28;1-21(24,25)16-4-2-15(3-5-16)17-12-32-9-8-29(17)20-18(23)19(27-14-28-20)26-13-22(30)6-10-33(31)11-7-22;1-20(11-30-12-20)10-25-18-17(22)19(27-13-26-18)28-7-8-29-9-16(28)14-3-5-15(6-4-14)21(2,23)24;/h4-11,17,19,23H,2-3,12-16H2,1H3,(H,31,32,33);5-8,15,17,20H,2-4,9-14H2,1H3,(H,29,30,31);2-5,14,17,30H,6-13H2,1H3,(H,26,27,28);3-6,13,16H,7-12H2,1-2H3,(H,25,26,27);1H2
InChIKeyZJHBXKCJKQMMOC-UHFFFAOYSA-N
MW1951.15 g/mol
LogP16.06
Rot. Bonds26

About 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

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 (PubChem CID 158809073) has the molecular formula C94H112F13N17O10S2 and a molecular weight of 1951.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID158809073
Molecular FormulaC94H112F13N17O10S2
Molecular Weight1951.15 g/mol
Exact Mass1949.80
IUPAC NameN-[[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
SMILESCC(=O)N1CCC(CNc2ncnc(N3CCCCC3c3ccc(C(F)(F)F)cc3)c2F)CC1.CC(F)(F)c1ccc(C2COCCN2c2ncnc(NCC3(O)CCS(=O)CC3)c2F)cc1.CC(F)(F)c1ccc(C2COCCN2c2ncnc(NCc3ccc(S(=O)(=O)CC4CC4)cc3)c2F)cc1.CC1(CNc2ncnc(N3CCOCC3c3ccc(C(C)(F)F)cc3)c2F)COC1.O
InChIInChI=1S/C27H29F3N4O3S.C24H29F4N5O.C22H27F3N4O3S.C21H25F3N4O2.H2O/c1-27(29,30)21-8-6-20(7-9-21)23-15-37-13-12-34(23)26-24(28)25(32-17-33-26)31-14-18-4-10-22(11-5-18)38(35,36)16-19-2-3-19;1-16(34)32-12-9-17(10-13-32)14-29-22-21(25)23(31-15-30-22)33-11-3-2-4-20(33)18-5-7-19(8-6-18)24(26,27)28;1-21(24,25)16-4-2-15(3-5-16)17-12-32-9-8-29(17)20-18(23)19(27-14-28-20)26-13-22(30)6-10-33(31)11-7-22;1-20(11-30-12-20)10-25-18-17(22)19(27-13-26-18)28-7-8-29-9-16(28)14-3-5-15(6-4-14)21(2,23)24;/h4-11,17,19,23H,2-3,12-16H2,1H3,(H,31,32,33);5-8,15,17,20H,2-4,9-14H2,1H3,(H,29,30,31);2-5,14,17,30H,6-13H2,1H3,(H,26,27,28);3-6,13,16H,7-12H2,1-2H3,(H,25,26,27);1H2
InChIKeyZJHBXKCJKQMMOC-UHFFFAOYSA-N
XLogP16.06
TPSA324.37 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001951.15
LogP ≤ 516.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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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
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
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-[[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCC(CNc2ncnc(N3CCCCC3c3ccc(C(F)(F)F)cc3)c2F)CC1.CC(F)(F)c1ccc(C2COCCN2c2ncnc(NCC3(O)CCS(=O)CC3)c2F)cc1.CC(F)(F)c1ccc(C2COCCN2c2ncnc(NCc3ccc(S(=O)(=O)CC4CC4)cc3)c2F)cc1.CC1(CNc2ncnc(N3CCOCC3c3ccc(C(C)(F)F)cc3)c2F)COC1.O.
What is the InChIKey of 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?
The InChIKey is ZJHBXKCJKQMMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O3S.C24H29F4N5O.C22H27F3N4O3S.C21H25F3N4O2.H2O/c1-27(29,30)21-8-6-20(7-9-21)23-15-37-13-12-34(23)26-24(28)25(32-17-33-26)31-14-18-4-10-22(11-5-18)38(35,36)16-19-2-3-19;1-16(34)32-12-9-17(10-13-32)14-29-22-21(25)23(31-15-30-22)33-11-3-2-4-20(33)18-5-7-19(8-6-18)24(26,27)28;1-21(24,25)16-4-2-15(3-5-16)17-12-32-9-8-29(17)20-18(23)19(27-14-28-20)26-13-22(30)6-10-33(31)11-7-22;1-20(11-30-12-20)10-25-18-17(22)19(27-13-26-18)28-7-8-29-9-16(28)14-3-5-15(6-4-14)21(2,23)24;/h4-11,17,19,23H,2-3,12-16H2,1H3,(H,31,32,33);5-8,15,17,20H,2-4,9-14H2,1H3,(H,29,30,31);2-5,14,17,30H,6-13H2,1H3,(H,26,27,28);3-6,13,16H,7-12H2,1-2H3,(H,25,26,27);1H2.
What are the key properties of 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?
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 has a molecular weight of 1951.15 g/mol, XLogP of 16.06, 26 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158809073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).