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

C97H106F15N19O6 — CID 159012533

IUPAC2-[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
SMILESCC(=O)CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCOCC1.CC(=O)Cc1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)cn1.CN(c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F)C1(c2ccc(C(C)(F)F)cc2)CC1.CNC(=O)CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCOCC1
InChIInChI=1S/C25H26F3N5O.C24H29F4N5O2.C24H23F4N5O.C24H28F4N4O2/c1-24(27,28)18-7-9-19(10-8-18)25(11-12-25)33(2)23-21(26)22(31-15-32-23)30-14-17-5-3-16(4-6-17)13-20(29)34;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;1-15(34)10-19-7-4-17(11-29-19)12-30-22-21(25)23(32-14-31-22)33(20-8-9-20)13-16-2-5-18(6-3-16)24(26,27)28;1-16(33)12-23(8-10-34-11-9-23)14-29-21-20(25)22(31-15-30-21)32(19-6-7-19)13-17-2-4-18(5-3-17)24(26,27)28/h3-10,15H,11-14H2,1-2H3,(H2,29,34)(H,30,31,32);2-5,15,18H,6-14H2,1H3,(H,29,34)(H,30,31,32);2-7,11,14,20H,8-10,12-13H2,1H3,(H,30,31,32);2-5,15,19H,6-14H2,1H3,(H,29,30,31)
InChIKeyJSRDZEOTTIKJIQ-UHFFFAOYSA-N
MW1919.01 g/mol
LogP18.57
Rot. Bonds36

About 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

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 (PubChem CID 159012533) has the molecular formula C97H106F15N19O6 and a molecular weight of 1919.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159012533
Molecular FormulaC97H106F15N19O6
Molecular Weight1919.01 g/mol
Exact Mass1917.83
IUPAC Name2-[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
SMILESCC(=O)CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCOCC1.CC(=O)Cc1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)cn1.CN(c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F)C1(c2ccc(C(C)(F)F)cc2)CC1.CNC(=O)CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCOCC1
InChIInChI=1S/C25H26F3N5O.C24H29F4N5O2.C24H23F4N5O.C24H28F4N4O2/c1-24(27,28)18-7-9-19(10-8-18)25(11-12-25)33(2)23-21(26)22(31-15-32-23)30-14-17-5-3-16(4-6-17)13-20(29)34;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;1-15(34)10-19-7-4-17(11-29-19)12-30-22-21(25)23(32-14-31-22)33(20-8-9-20)13-16-2-5-18(6-3-16)24(26,27)28;1-16(33)12-23(8-10-34-11-9-23)14-29-21-20(25)22(31-15-30-21)32(19-6-7-19)13-17-2-4-18(5-3-17)24(26,27)28/h3-10,15H,11-14H2,1-2H3,(H2,29,34)(H,30,31,32);2-5,15,18H,6-14H2,1H3,(H,29,34)(H,30,31,32);2-7,11,14,20H,8-10,12-13H2,1H3,(H,30,31,32);2-5,15,19H,6-14H2,1H3,(H,29,30,31)
InChIKeyJSRDZEOTTIKJIQ-UHFFFAOYSA-N
XLogP18.57
TPSA301.88 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds36
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001919.01
LogP ≤ 518.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 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 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
1,3-Bis[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-1,3-dimorpholin-4-ylpropan-2-one
CID 140319393
[1-[6-[6-Amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 157124980
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
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
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-[cyclopropyl-[(2,6-dichlorophenyl)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-[[4-(fluoromethyl)oxan-4-yl]methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(4-methylsulfinylphenyl)methyl]pyrimidine-4,6-diamine;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
CID 158694587
2-[2-[2-[2-[[4-(1-Ethylpiperidin-3-yl)phenyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide;2-[2-[2-[2-[(4-piperidin-3-ylphenyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]-3-pyridinyl]acetamide
CID 158715648
4-[[5-[5-[(Benzylamino)methyl]-2-pyridinyl]-2-(butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(butylamino)-5-[5-[(cyclopropylmethylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(butylamino)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;2-[6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-3-pyridinyl]-1-cyclohexylethanone;[6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone;4-[[2-(butylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 158938919
2-[4-[[[6-[benzyl(cyclopropyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-N-benzyl-4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoropyrimidine-4,6-diamine;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzonitrile;1-[2-[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-4,4-difluorocyclohexan-1-ol;N-cyclopropyl-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-[2-(2-methoxycyclohexyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 160033657
N-cyclohexyl-3-methylbutanamide;1-(2,3-dimethylbutyl)-4-methylbenzene;N,3-dimethyl-N-(3-methylbutyl)butanamide;1-(2,4-dimethylpentan-2-yl)-4-methylbenzene;N-ethyl-N,4-dimethylpent-1-en-2-amine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;1-(4-fluorophenyl)-3-methylbutan-1-one;methane;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;2-methyl-5-(3-methylbutyl)pyrimidine;4-methyl-1-(4-methylphenyl)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 160873817

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCOCC1.CC(=O)Cc1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)cn1.CN(c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F)C1(c2ccc(C(C)(F)F)cc2)CC1.CNC(=O)CC1(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)CCOCC1.
What is the InChIKey of 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?
The InChIKey is JSRDZEOTTIKJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O.C24H29F4N5O2.C24H23F4N5O.C24H28F4N4O2/c1-24(27,28)18-7-9-19(10-8-18)25(11-12-25)33(2)23-21(26)22(31-15-32-23)30-14-17-5-3-16(4-6-17)13-20(29)34;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;1-15(34)10-19-7-4-17(11-29-19)12-30-22-21(25)23(32-14-31-22)33(20-8-9-20)13-16-2-5-18(6-3-16)24(26,27)28;1-16(33)12-23(8-10-34-11-9-23)14-29-21-20(25)22(31-15-30-21)32(19-6-7-19)13-17-2-4-18(5-3-17)24(26,27)28/h3-10,15H,11-14H2,1-2H3,(H2,29,34)(H,30,31,32);2-5,15,18H,6-14H2,1H3,(H,29,34)(H,30,31,32);2-7,11,14,20H,8-10,12-13H2,1H3,(H,30,31,32);2-5,15,19H,6-14H2,1H3,(H,29,30,31).
What are the key properties of 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?
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 has a molecular weight of 1919.01 g/mol, XLogP of 18.57, 36 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159012533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).