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

C98H108F13N19O3 — CID 158436657

IUPAC2-[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
SMILESCC(=O)N1CCC(CNc2ncnc(N(Cc3ccc(C(C)(F)F)cc3)C3CC3)c2F)CC1.CC(F)(F)c1ccc(CN(c2ncnc(NCC3CCOCC3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC#N)cc3)c2F)C2CC2)cc1.NC(=O)Cc1ccc(CNc2ncnc(N(C3CC3)C(c3ccc(C(F)(F)F)cc3)C3CC3)c2F)cc1
InChIInChI=1S/C27H27F4N5O.C25H24F3N5.C24H30F3N5O.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;1-25(27,28)20-8-6-19(7-9-20)15-33(21-10-11-21)24-22(26)23(31-16-32-24)30-14-18-4-2-17(3-5-18)12-13-29;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;1-22(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);2-9,16,21H,10-12,14-15H2,1H3,(H,30,31,32);3-6,15,17,20H,7-14H2,1-2H3,(H,28,29,30);2-5,14-15,18H,6-13H2,1H3,(H,26,27,28)
InChIKeyHCHRTARHXVBCTP-UHFFFAOYSA-N
MW1847.05 g/mol
LogP20.27
Rot. Bonds35

About 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

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 (PubChem CID 158436657) has the molecular formula C98H108F13N19O3 and a molecular weight of 1847.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158436657
Molecular FormulaC98H108F13N19O3
Molecular Weight1847.05 g/mol
Exact Mass1845.87
IUPAC Name2-[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
SMILESCC(=O)N1CCC(CNc2ncnc(N(Cc3ccc(C(C)(F)F)cc3)C3CC3)c2F)CC1.CC(F)(F)c1ccc(CN(c2ncnc(NCC3CCOCC3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC#N)cc3)c2F)C2CC2)cc1.NC(=O)Cc1ccc(CNc2ncnc(N(C3CC3)C(c3ccc(C(F)(F)F)cc3)C3CC3)c2F)cc1
InChIInChI=1S/C27H27F4N5O.C25H24F3N5.C24H30F3N5O.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;1-25(27,28)20-8-6-19(7-9-20)15-33(21-10-11-21)24-22(26)23(31-16-32-24)30-14-18-4-2-17(3-5-18)12-13-29;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;1-22(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);2-9,16,21H,10-12,14-15H2,1H3,(H,30,31,32);3-6,15,17,20H,7-14H2,1-2H3,(H,28,29,30);2-5,14-15,18H,6-13H2,1H3,(H,26,27,28)
InChIKeyHCHRTARHXVBCTP-UHFFFAOYSA-N
XLogP20.27
TPSA260.62 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds35
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001847.05
LogP ≤ 520.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

4-[[[6-[3-[4-(1,1-Difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]oxane-4-carbonitrile;1-[4-[[[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]amino]methyl]oxan-4-yl]ethanone;1-[4-[[[5-fluoro-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-yl]amino]methyl]oxan-4-yl]pentan-1-one
CID 157287844
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-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetonitrile;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 157573330
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;1-[4-[[4-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]propan-2-one
CID 158091503
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
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
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
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
5,6-difluoro-N-methyl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-4-amine;5,6-difluoro-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-4-amine;2-[4-[[[5-fluoro-6-[methyl-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;iodomethane;methane
CID 160596742
2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]acetonitrile;N-[[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]methyl]methanesulfonamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]methyl]pyrimidine-4,6-diamine;2-[4-[[[6-[cyclopropyl-[(4-ethynylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 160894904
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
1-[(8R)-2,2-difluoro-8,28,28-trimethyl-18-oxo-9,11,13,19,27-pentazapentacyclo[25.2.2.13,7.010,15.014,19]dotriaconta-3,5,7(32),10(15),11,13,16-heptaen-17-yl]cyclopropane-1-carbonitrile;ethane;1-(23,23,28-trifluoro-6-methyl-12-oxo-21-oxa-3,5,7,13-tetrazatetracyclo[22.3.1.04,9.08,13]octacosa-1(28),4(9),5,7,10,24,26-heptaen-11-yl)cyclopropane-1-carbonitrile
CID 177000190
6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(cyclohexen-1-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;bis(6-cyclohexyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one)
CID 158633394

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCC(CNc2ncnc(N(Cc3ccc(C(C)(F)F)cc3)C3CC3)c2F)CC1.CC(F)(F)c1ccc(CN(c2ncnc(NCC3CCOCC3)c2F)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC#N)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 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?
The InChIKey is HCHRTARHXVBCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F4N5O.C25H24F3N5.C24H30F3N5O.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;1-25(27,28)20-8-6-19(7-9-20)15-33(21-10-11-21)24-22(26)23(31-16-32-24)30-14-18-4-2-17(3-5-18)12-13-29;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;1-22(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);2-9,16,21H,10-12,14-15H2,1H3,(H,30,31,32);3-6,15,17,20H,7-14H2,1-2H3,(H,28,29,30);2-5,14-15,18H,6-13H2,1H3,(H,26,27,28).
What are the key properties of 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?
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 has a molecular weight of 1847.05 g/mol, XLogP of 20.27, 35 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158436657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).