5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide

C75H81F10N17O5 — CID 158139550

IUPAC5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide
SMILESCC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(C4(C)NC(=O)NC4=O)cc3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cn1.CNC(=O)CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCOCC1
InChIInChI=1S/C27H27F3N6O2.C24H29F4N5O2.C24H25F3N6O/c1-26(24(37)34-25(38)35-26)18-7-3-16(4-8-18)13-31-22-21(28)23(33-15-32-22)36(20-11-12-20)14-17-5-9-19(10-6-17)27(2,29)30;1-29-19(34)12-23(8-10-35-11-9-23)14-30-21-20(25)22(32-15-31-21)33(18-6-7-18)13-16-2-4-17(5-3-16)24(26,27)28;1-24(26,27)19-9-6-17(12-29-19)13-33(18-7-8-18)23-21(25)22(31-14-32-23)30-11-16-4-2-15(3-5-16)10-20(28)34/h3-10,15,20H,11-14H2,1-2H3,(H,31,32,33)(H2,34,35,37,38);2-5,15,18H,6-14H2,1H3,(H,29,34)(H,30,31,32);2-6,9,12,14,18H,7-8,10-11,13H2,1H3,(H2,28,34)(H,30,31,32)
InChIKeyFTTQIWGBOOIMIX-UHFFFAOYSA-N
MW1490.57 g/mol
LogP12.64
Rot. Bonds28

About 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide

5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide (PubChem CID 158139550) has the molecular formula C75H81F10N17O5 and a molecular weight of 1490.57 g/mol. Its IUPAC name is 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide
PubChem CID158139550
Molecular FormulaC75H81F10N17O5
Molecular Weight1490.57 g/mol
Exact Mass1489.64
IUPAC Name5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide
SMILESCC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(C4(C)NC(=O)NC4=O)cc3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cn1.CNC(=O)CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCOCC1
InChIInChI=1S/C27H27F3N6O2.C24H29F4N5O2.C24H25F3N6O/c1-26(24(37)34-25(38)35-26)18-7-3-16(4-8-18)13-31-22-21(28)23(33-15-32-22)36(20-11-12-20)14-17-5-9-19(10-6-17)27(2,29)30;1-29-19(34)12-23(8-10-35-11-9-23)14-30-21-20(25)22(32-15-31-21)33(18-6-7-18)13-16-2-4-17(5-3-16)24(26,27)28;1-24(26,27)19-9-6-17(12-29-19)13-33(18-7-8-18)23-21(25)22(31-14-32-23)30-11-16-4-2-15(3-5-16)10-20(28)34/h3-10,15,20H,11-14H2,1-2H3,(H,31,32,33)(H2,34,35,37,38);2-5,15,18H,6-14H2,1H3,(H,29,34)(H,30,31,32);2-6,9,12,14,18H,7-8,10-11,13H2,1H3,(H2,28,34)(H,30,31,32)
InChIKeyFTTQIWGBOOIMIX-UHFFFAOYSA-N
XLogP12.64
TPSA275.66 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001490.57
LogP ≤ 512.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide with MolForge

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Related Compounds

[(7S)-7-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-phenylphenyl)methanone;(5-methyl-2-pyrimidin-2-ylphenyl)-[(7S)-7-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone
CID 87180376
2-[4-[[[6-[[2-[4-[[5-(2-Amino-2-oxoethyl)pyridin-2-yl]methylamino]-6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-2-yl]cyclopropyl]-[[6-(trifluoromethyl)pyridin-2-yl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 132179902
N-cyano-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzamide;5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 157767870
2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;1-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]propan-2-one;1-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 159012533
6-N-[[4-(2-aminoprop-2-enyl)phenyl]methyl]-4-N-cyclopropyl-5-fluoro-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine;tert-butyl N-[2-[[6-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-5-fluoropyrimidin-4-yl]-cyclopropylamino]-2-[4-(trifluoromethyl)phenyl]ethyl]carbamate;4-N-cyclopropyl-5-fluoro-6-N-[[4-[(methyl-methylidene-oxo-lambda6-sulfanyl)methyl]oxan-4-yl]methyl]-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine;2-[4-[[[5-fluoro-6-[methyl-[(4-pyrrol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 159685803
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
5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide;2-[4-[[[6-[[1-[4-(1,1-difluoroethyl)phenyl]cyclopropyl]-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 161486713
bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,4-dimethylpent-1-en-2-amine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;methane;4-(3-methylbutanoyl)piperazin-2-one;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;2-methyl-5-(2,2,3-trimethylbutyl)pyridine
CID 161594790
N-cyclohexyl-3-methylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3-dimethylbutanamide;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;4-(3-methylbutanoyl)piperazin-2-one;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;4-methyl-1-(4-methylphenyl)pentan-3-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide
CID 161699801
4-[(2S)-3-[[(3S)-4-cyclopropyl-3-phenylbutanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;4-[(2S)-3-[[(3S)-4-cyclopropyl-3-pyridin-3-ylbutanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;4-[(2S)-3-[[(3R)-4-cyclopropyl-3-pyridin-3-ylbutanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluorobenzamide;2-fluoro-4-[(2S)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-pyrrolidin-1-ylpropyl]benzamide;2-fluoro-4-[(2S)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-pyrrolidin-1-ylpropyl]benzamide
CID 167533323
4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[3-(5-methyl-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;bis(4-[(2S)-2-(dimethylamino)-3-[[3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide);4-[(2S)-2-(dimethylamino)-3-[[3-pyrimidin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 167540183
(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide
CID 167590075

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide?
The IUPAC name of 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide (CID 158139550) is 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide.
What is the SMILES notation for 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide?
The canonical SMILES for 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide is CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(C4(C)NC(=O)NC4=O)cc3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CC2)cn1.CNC(=O)CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCOCC1.
What is the InChIKey of 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide?
The InChIKey is FTTQIWGBOOIMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O2.C24H29F4N5O2.C24H25F3N6O/c1-26(24(37)34-25(38)35-26)18-7-3-16(4-8-18)13-31-22-21(28)23(33-15-32-22)36(20-11-12-20)14-17-5-9-19(10-6-17)27(2,29)30;1-29-19(34)12-23(8-10-35-11-9-23)14-30-21-20(25)22(32-15-31-21)33(18-6-7-18)13-16-2-4-17(5-3-16)24(26,27)28;1-24(26,27)19-9-6-17(12-29-19)13-33(18-7-8-18)23-21(25)22(31-14-32-23)30-11-16-4-2-15(3-5-16)10-20(28)34/h3-10,15,20H,11-14H2,1-2H3,(H,31,32,33)(H2,34,35,37,38);2-5,15,18H,6-14H2,1H3,(H,29,34)(H,30,31,32);2-6,9,12,14,18H,7-8,10-11,13H2,1H3,(H2,28,34)(H,30,31,32).
What are the key properties of 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide?
5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide has a molecular weight of 1490.57 g/mol, XLogP of 12.64, 28 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-5-methylimidazolidine-2,4-dione;2-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]-N-methylacetamide is sourced from PubChem (CID 158139550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).