2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide

C70H81F12N15O7S2 — CID 159799098

IUPAC2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide
SMILESCNC(=O)C1(CNc2ncnc(N3CCCCC3c3ccc(C(F)(F)F)cc3)c2F)CCOCC1.NC(=O)Cc1ccc(CNc2ncnc(N3CCOCC3c3ccccc3)c2F)s1.O=S(=O)(CC(F)(F)F)NC1CCC(CNc2ncnc(N3CCCCC3c3ccc(OC(F)(F)F)cc3)c2F)CC1
InChIInChI=1S/C25H30F7N5O3S.C24H29F4N5O2.C21H22FN5O2S/c26-21-22(33-13-16-4-8-18(9-5-16)36-41(38,39)14-24(27,28)29)34-15-35-23(21)37-12-2-1-3-20(37)17-6-10-19(11-7-17)40-25(30,31)32;1-29-22(34)23(9-12-35-13-10-23)14-30-20-19(25)21(32-15-31-20)33-11-3-2-4-18(33)16-5-7-17(8-6-16)24(26,27)28;22-19-20(24-11-16-7-6-15(30-16)10-18(23)28)25-13-26-21(19)27-8-9-29-12-17(27)14-4-2-1-3-5-14/h6-7,10-11,15-16,18,20,36H,1-5,8-9,12-14H2,(H,33,34,35);5-8,15,18H,2-4,9-14H2,1H3,(H,29,34)(H,30,31,32);1-7,13,17H,8-12H2,(H2,23,28)(H,24,25,26)
InChIKeyNJOBKNLAGADKOO-UHFFFAOYSA-N
MW1536.63 g/mol
LogP12.91
Rot. Bonds22

About 2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide

2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide (PubChem CID 159799098) has the molecular formula C70H81F12N15O7S2 and a molecular weight of 1536.63 g/mol. Its IUPAC name is 2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide
PubChem CID159799098
Molecular FormulaC70H81F12N15O7S2
Molecular Weight1536.63 g/mol
Exact Mass1535.57
IUPAC Name2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide
SMILESCNC(=O)C1(CNc2ncnc(N3CCCCC3c3ccc(C(F)(F)F)cc3)c2F)CCOCC1.NC(=O)Cc1ccc(CNc2ncnc(N3CCOCC3c3ccccc3)c2F)s1.O=S(=O)(CC(F)(F)F)NC1CCC(CNc2ncnc(N3CCCCC3c3ccc(OC(F)(F)F)cc3)c2F)CC1
InChIInChI=1S/C25H30F7N5O3S.C24H29F4N5O2.C21H22FN5O2S/c26-21-22(33-13-16-4-8-18(9-5-16)36-41(38,39)14-24(27,28)29)34-15-35-23(21)37-12-2-1-3-20(37)17-6-10-19(11-7-17)40-25(30,31)32;1-29-22(34)23(9-12-35-13-10-23)14-30-20-19(25)21(32-15-31-20)33-11-3-2-4-18(33)16-5-7-17(8-6-16)24(26,27)28;22-19-20(24-11-16-7-6-15(30-16)10-18(23)28)25-13-26-21(19)27-8-9-29-12-17(27)14-4-2-1-3-5-14/h6-7,10-11,15-16,18,20,36H,1-5,8-9,12-14H2,(H,33,34,35);5-8,15,18H,2-4,9-14H2,1H3,(H,29,34)(H,30,31,32);1-7,13,17H,8-12H2,(H2,23,28)(H,24,25,26)
InChIKeyNJOBKNLAGADKOO-UHFFFAOYSA-N
XLogP12.91
TPSA269.20 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001536.63
LogP ≤ 512.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide with MolForge

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Related Compounds

2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2-[4-[[4-(3-phenylmorpholin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide
CID 157584485
2-[4-[[[6-[3-[4-(1,1-difluoroethoxy)-2-fluorophenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;6-[2-[4-(1,1-difluoroethyl)phenyl]-4,4-difluoropyrrolidin-1-yl]-5-fluoro-N-(oxan-4-ylmethyl)pyrimidin-4-amine;6-[4,4-difluoro-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(3-ethyloxetan-3-yl)methyl]-5-fluoropyrimidin-4-amine;6-[4,4-difluoro-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[[4-[(methyl-methylidene-oxo-lambda6-sulfanyl)methyl]oxan-4-yl]methyl]pyrimidin-4-amine
CID 157966743
N-cyclopropyl-4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]benzenesulfonamide;4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-1,1-dioxothian-4-ol;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine;2-[4-[[[6-[cyclopropyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 159272584
N-cyclopropyl-4-[[[5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;4-[[[6-[3-[4-(1,1-difluoroethyl)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]methyl]oxane-4-carboxylic acid;5-fluoro-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;2-[4-[[[5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]methyl]phenyl]acetic acid;N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]methanesulfonamide
CID 159719836
2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]oxan-4-yl]ethanol;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine;2-[4-[[[6-[[4-(1,1-difluoroethyl)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 159760085

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide?
The IUPAC name of 2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide (CID 159799098) is 2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide.
What is the SMILES notation for 2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide?
The canonical SMILES for 2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide is CNC(=O)C1(CNc2ncnc(N3CCCCC3c3ccc(C(F)(F)F)cc3)c2F)CCOCC1.NC(=O)Cc1ccc(CNc2ncnc(N3CCOCC3c3ccccc3)c2F)s1.O=S(=O)(CC(F)(F)F)NC1CCC(CNc2ncnc(N3CCCCC3c3ccc(OC(F)(F)F)cc3)c2F)CC1.
What is the InChIKey of 2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide?
The InChIKey is NJOBKNLAGADKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F7N5O3S.C24H29F4N5O2.C21H22FN5O2S/c26-21-22(33-13-16-4-8-18(9-5-16)36-41(38,39)14-24(27,28)29)34-15-35-23(21)37-12-2-1-3-20(37)17-6-10-19(11-7-17)40-25(30,31)32;1-29-22(34)23(9-12-35-13-10-23)14-30-20-19(25)21(32-15-31-20)33-11-3-2-4-18(33)16-5-7-17(8-6-16)24(26,27)28;22-19-20(24-11-16-7-6-15(30-16)10-18(23)28)25-13-26-21(19)27-8-9-29-12-17(27)14-4-2-1-3-5-14/h6-7,10-11,15-16,18,20,36H,1-5,8-9,12-14H2,(H,33,34,35);5-8,15,18H,2-4,9-14H2,1H3,(H,29,34)(H,30,31,32);1-7,13,17H,8-12H2,(H2,23,28)(H,24,25,26).
What are the key properties of 2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide?
2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide has a molecular weight of 1536.63 g/mol, XLogP of 12.91, 22 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[[5-fluoro-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]amino]methyl]thiophen-2-yl]acetamide;4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-N-methyloxane-4-carboxamide;2,2,2-trifluoro-N-[4-[[[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 159799098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).