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

C107H112F14N20O6 — CID 160914403

IUPAC2-[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
SMILESCC(F)(F)c1ccc(CN(CC2CC2)c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CCC2)cc1.COC(=O)CC(c1ccc(C(F)(F)F)cc1)N(c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F)C1CC1.NC(=O)Cc1ccc(CNc2ncnc(N(C3CC3)C(c3ccc(C(F)(F)F)cc3)C3CCC3)c2F)cc1
InChIInChI=1S/C28H29F4N5O.C27H27F4N5O3.2C26H28F3N5O/c29-24-26(34-15-18-6-4-17(5-7-18)14-23(33)38)35-16-36-27(24)37(22-12-13-22)25(19-2-1-3-19)20-8-10-21(11-9-20)28(30,31)32;1-39-23(38)13-21(18-6-8-19(9-7-18)27(29,30)31)36(20-10-11-20)26-24(28)25(34-15-35-26)33-14-17-4-2-16(3-5-17)12-22(32)37;1-26(28,29)21-10-8-20(9-11-21)15-34(14-19-6-7-19)25-23(27)24(32-16-33-25)31-13-18-4-2-17(3-5-18)12-22(30)35;1-26(28,29)20-11-9-19(10-12-20)15-34(21-3-2-4-21)25-23(27)24(32-16-33-25)31-14-18-7-5-17(6-8-18)13-22(30)35/h4-11,16,19,22,25H,1-3,12-15H2,(H2,33,38)(H,34,35,36);2-9,15,20-21H,10-14H2,1H3,(H2,32,37)(H,33,34,35);2-5,8-11,16,19H,6-7,12-15H2,1H3,(H2,30,35)(H,31,32,33);5-12,16,21H,2-4,13-15H2,1H3,(H2,30,35)(H,31,32,33)
InChIKeySRFFZNZBBDIEBJ-UHFFFAOYSA-N
MW2040.18 g/mol
LogP20.04
Rot. Bonds42

About 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

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 (PubChem CID 160914403) has the molecular formula C107H112F14N20O6 and a molecular weight of 2040.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160914403
Molecular FormulaC107H112F14N20O6
Molecular Weight2040.18 g/mol
Exact Mass2038.89
IUPAC Name2-[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
SMILESCC(F)(F)c1ccc(CN(CC2CC2)c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CCC2)cc1.COC(=O)CC(c1ccc(C(F)(F)F)cc1)N(c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F)C1CC1.NC(=O)Cc1ccc(CNc2ncnc(N(C3CC3)C(c3ccc(C(F)(F)F)cc3)C3CCC3)c2F)cc1
InChIInChI=1S/C28H29F4N5O.C27H27F4N5O3.2C26H28F3N5O/c29-24-26(34-15-18-6-4-17(5-7-18)14-23(33)38)35-16-36-27(24)37(22-12-13-22)25(19-2-1-3-19)20-8-10-21(11-9-20)28(30,31)32;1-39-23(38)13-21(18-6-8-19(9-7-18)27(29,30)31)36(20-10-11-20)26-24(28)25(34-15-35-26)33-14-17-4-2-16(3-5-17)12-22(32)37;1-26(28,29)21-10-8-20(9-11-21)15-34(14-19-6-7-19)25-23(27)24(32-16-33-25)31-13-18-4-2-17(3-5-18)12-22(30)35;1-26(28,29)20-11-9-19(10-12-20)15-34(21-3-2-4-21)25-23(27)24(32-16-33-25)31-14-18-7-5-17(6-8-18)13-22(30)35/h4-11,16,19,22,25H,1-3,12-15H2,(H2,33,38)(H,34,35,36);2-9,15,20-21H,10-14H2,1H3,(H2,32,37)(H,33,34,35);2-5,8-11,16,19H,6-7,12-15H2,1H3,(H2,30,35)(H,31,32,33);5-12,16,21H,2-4,13-15H2,1H3,(H2,30,35)(H,31,32,33)
InChIKeySRFFZNZBBDIEBJ-UHFFFAOYSA-N
XLogP20.04
TPSA362.86 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds42
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002040.18
LogP ≤ 520.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

Methyl 3-[[6-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-5-fluoropyrimidin-4-yl]-cyclopropylamino]-3-[4-(trifluoromethyl)phenyl]propanoate
CID 132166382
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
3-(aminomethyl)cyclobutane-1-carboxylic acid;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]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane
CID 158080510
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
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
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-[(6-Cyano-3-pyridinyl)methyl-cyclopropylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;2-[3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutyl]acetamide;2-[3-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutyl]acetic acid
CID 161985019

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(F)(F)c1ccc(CN(CC2CC2)c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)C2CCC2)cc1.COC(=O)CC(c1ccc(C(F)(F)F)cc1)N(c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F)C1CC1.NC(=O)Cc1ccc(CNc2ncnc(N(C3CC3)C(c3ccc(C(F)(F)F)cc3)C3CCC3)c2F)cc1.
What is the InChIKey of 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?
The InChIKey is SRFFZNZBBDIEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F4N5O.C27H27F4N5O3.2C26H28F3N5O/c29-24-26(34-15-18-6-4-17(5-7-18)14-23(33)38)35-16-36-27(24)37(22-12-13-22)25(19-2-1-3-19)20-8-10-21(11-9-20)28(30,31)32;1-39-23(38)13-21(18-6-8-19(9-7-18)27(29,30)31)36(20-10-11-20)26-24(28)25(34-15-35-26)33-14-17-4-2-16(3-5-17)12-22(32)37;1-26(28,29)21-10-8-20(9-11-21)15-34(14-19-6-7-19)25-23(27)24(32-16-33-25)31-13-18-4-2-17(3-5-18)12-22(30)35;1-26(28,29)20-11-9-19(10-12-20)15-34(21-3-2-4-21)25-23(27)24(32-16-33-25)31-14-18-7-5-17(6-8-18)13-22(30)35/h4-11,16,19,22,25H,1-3,12-15H2,(H2,33,38)(H,34,35,36);2-9,15,20-21H,10-14H2,1H3,(H2,32,37)(H,33,34,35);2-5,8-11,16,19H,6-7,12-15H2,1H3,(H2,30,35)(H,31,32,33);5-12,16,21H,2-4,13-15H2,1H3,(H2,30,35)(H,31,32,33).
What are the key properties of 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?
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 has a molecular weight of 2040.18 g/mol, XLogP of 20.04, 42 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160914403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).