2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide

C98H107F12N19O6 — CID 158243738

IUPAC2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
SMILESCC(F)(F)c1ccc(CN(c2ncnc(NCC3(O)CCOC3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CCOC2)cc1.CC(c1ccc(C(C)(F)F)cc1)N(c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F)C1CC1
InChIInChI=1S/C26H28F3N5O2.C26H28F3N5O.C25H26F3N5O.C21H25F3N4O2/c1-26(28,29)20-8-6-19(7-9-20)14-34(21-10-11-36-15-21)25-23(27)24(32-16-33-25)31-13-18-4-2-17(3-5-18)12-22(30)35;1-16(19-7-9-20(10-8-19)26(2,28)29)34(21-11-12-21)25-23(27)24(32-15-33-25)31-14-18-5-3-17(4-6-18)13-22(30)35;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;1-20(23,24)15-4-2-14(3-5-15)10-28(16-6-7-16)19-17(22)18(26-13-27-19)25-11-21(29)8-9-30-12-21/h2-9,16,21H,10-15H2,1H3,(H2,30,35)(H,31,32,33);3-10,15-16,21H,11-14H2,1-2H3,(H2,30,35)(H,31,32,33);2-9,15,20H,10-14H2,1H3,(H2,29,34)(H,30,31,32);2-5,13,16,29H,6-12H2,1H3,(H,25,26,27)
InChIKeyGFWFTOJTABOZGE-UHFFFAOYSA-N
MW1875.04 g/mol
LogP17.26
Rot. Bonds38

About 2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide

2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide (PubChem CID 158243738) has the molecular formula C98H107F12N19O6 and a molecular weight of 1875.04 g/mol. Its IUPAC name is 2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
PubChem CID158243738
Molecular FormulaC98H107F12N19O6
Molecular Weight1875.04 g/mol
Exact Mass1873.85
IUPAC Name2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
SMILESCC(F)(F)c1ccc(CN(c2ncnc(NCC3(O)CCOC3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CCOC2)cc1.CC(c1ccc(C(C)(F)F)cc1)N(c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F)C1CC1
InChIInChI=1S/C26H28F3N5O2.C26H28F3N5O.C25H26F3N5O.C21H25F3N4O2/c1-26(28,29)20-8-6-19(7-9-20)14-34(21-10-11-36-15-21)25-23(27)24(32-16-33-25)31-13-18-4-2-17(3-5-18)12-22(30)35;1-16(19-7-9-20(10-8-19)26(2,28)29)34(21-11-12-21)25-23(27)24(32-15-33-25)31-14-18-5-3-17(4-6-18)13-22(30)35;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;1-20(23,24)15-4-2-14(3-5-15)10-28(16-6-7-16)19-17(22)18(26-13-27-19)25-11-21(29)8-9-30-12-21/h2-9,16,21H,10-15H2,1H3,(H2,30,35)(H,31,32,33);3-10,15-16,21H,11-14H2,1-2H3,(H2,30,35)(H,31,32,33);2-9,15,20H,10-14H2,1H3,(H2,29,34)(H,30,31,32);2-5,13,16,29H,6-12H2,1H3,(H,25,26,27)
InChIKeyGFWFTOJTABOZGE-UHFFFAOYSA-N
XLogP17.26
TPSA332.16 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds38
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001875.04
LogP ≤ 517.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide with MolForge

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Related Compounds

2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide
CID 156500570
2-[4-[[[6-[Cyclopropyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,3-difluoropiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 158268399
2-[(3R,4R)-4-[[[6-[cyclopropyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[(4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,3-difluoropiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-hydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 158268403
N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;methane;N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine;4,5,6-trifluoropyrimidine
CID 158276416
2-[4-[[[6-[cyclopropyl-[cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetonitrile;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 158436657
2-[4-[[[6-[Cyclobutyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[cyclobutyl-[4-(trifluoromethyl)phenyl]methyl]-cyclopropylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropylmethyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;methyl 3-[[6-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-5-fluoropyrimidin-4-yl]-cyclopropylamino]-3-[4-(trifluoromethyl)phenyl]propanoate
CID 160914403
2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide
CID 158441132
2-[(3R,4R)-4-[[[6-[cyclopropyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-hydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 161230982

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of 2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide (CID 158243738) is 2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide is CC(F)(F)c1ccc(CN(c2ncnc(NCC3(O)CCOC3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CCOC2)cc1.CC(c1ccc(C(C)(F)F)cc1)N(c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F)C1CC1.
What is the InChIKey of 2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The InChIKey is GFWFTOJTABOZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O2.C26H28F3N5O.C25H26F3N5O.C21H25F3N4O2/c1-26(28,29)20-8-6-19(7-9-20)14-34(21-10-11-36-15-21)25-23(27)24(32-16-33-25)31-13-18-4-2-17(3-5-18)12-22(30)35;1-16(19-7-9-20(10-8-19)26(2,28)29)34(21-11-12-21)25-23(27)24(32-15-33-25)31-14-18-5-3-17(4-6-18)13-22(30)35;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;1-20(23,24)15-4-2-14(3-5-15)10-28(16-6-7-16)19-17(22)18(26-13-27-19)25-11-21(29)8-9-30-12-21/h2-9,16,21H,10-15H2,1H3,(H2,30,35)(H,31,32,33);3-10,15-16,21H,11-14H2,1-2H3,(H2,30,35)(H,31,32,33);2-9,15,20H,10-14H2,1H3,(H2,29,34)(H,30,31,32);2-5,13,16,29H,6-12H2,1H3,(H,25,26,27).
What are the key properties of 2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide?
2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide has a molecular weight of 1875.04 g/mol, XLogP of 17.26, 38 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[6-[cyclopropyl-[1-[4-(1,1-difluoroethyl)phenyl]ethyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-(oxolan-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 158243738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).