2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide

C112H154F6N30O15 — CID 158441132

IUPAC2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide
SMILESCCN(Cc1ccc(C)cc1)c1ncnc(NC[C@@]2(O)CCN(CC(N)=O)C[C@H]2O)c1F.CCN(Cc1ccc(C)cc1)c1ncnc(NC[C@]2(O)CCN(CC(N)=O)C[C@H]2O)c1F.CCN(Cc1ccc(C)cc1F)c1ncnc(NC[C@]2(O)CCN(CC(N)=O)C[C@H]2O)c1F.Cc1ccc(CN(c2ncnc(NC[C@@]3(O)CCN(CC(N)=O)C[C@H]3O)c2F)C2CC2)cc1.Cc1ccc(CN(c2ncnc(NC[C@]3(O)CCN(CC(N)=O)C[C@H]3O)c2F)C2CC2)cc1
InChIInChI=1S/2C23H31FN6O3.C22H30F2N6O3.2C22H31FN6O3/c2*1-15-2-4-16(5-3-15)10-30(17-6-7-17)22-20(24)21(27-14-28-22)26-13-23(33)8-9-29(11-18(23)31)12-19(25)32;1-3-30(9-15-5-4-14(2)8-16(15)23)21-19(24)20(27-13-28-21)26-12-22(33)6-7-29(10-17(22)31)11-18(25)32;2*1-3-29(10-16-6-4-15(2)5-7-16)21-19(23)20(26-14-27-21)25-13-22(32)8-9-28(11-17(22)30)12-18(24)31/h2*2-5,14,17-18,31,33H,6-13H2,1H3,(H2,25,32)(H,26,27,28);4-5,8,13,17,31,33H,3,6-7,9-12H2,1-2H3,(H2,25,32)(H,26,27,28);2*4-7,14,17,30,32H,3,8-13H2,1-2H3,(H2,24,31)(H,25,26,27)/t18-,23+;18-,23-;17-,22-;17-,22+;17-,22-/m11111/s1
InChIKeyHCVBUPXMKPBLTB-AJHAOYNFSA-N
MW2274.65 g/mol
LogP3.65
Rot. Bonds45

About 2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide

2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide (PubChem CID 158441132) has the molecular formula C112H154F6N30O15 and a molecular weight of 2274.65 g/mol. Its IUPAC name is 2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide
PubChem CID158441132
Molecular FormulaC112H154F6N30O15
Molecular Weight2274.65 g/mol
Exact Mass2273.21
IUPAC Name2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide
SMILESCCN(Cc1ccc(C)cc1)c1ncnc(NC[C@@]2(O)CCN(CC(N)=O)C[C@H]2O)c1F.CCN(Cc1ccc(C)cc1)c1ncnc(NC[C@]2(O)CCN(CC(N)=O)C[C@H]2O)c1F.CCN(Cc1ccc(C)cc1F)c1ncnc(NC[C@]2(O)CCN(CC(N)=O)C[C@H]2O)c1F.Cc1ccc(CN(c2ncnc(NC[C@@]3(O)CCN(CC(N)=O)C[C@H]3O)c2F)C2CC2)cc1.Cc1ccc(CN(c2ncnc(NC[C@]3(O)CCN(CC(N)=O)C[C@H]3O)c2F)C2CC2)cc1
InChIInChI=1S/2C23H31FN6O3.C22H30F2N6O3.2C22H31FN6O3/c2*1-15-2-4-16(5-3-15)10-30(17-6-7-17)22-20(24)21(27-14-28-22)26-13-23(33)8-9-29(11-18(23)31)12-19(25)32;1-3-30(9-15-5-4-14(2)8-16(15)23)21-19(24)20(27-13-28-21)26-12-22(33)6-7-29(10-17(22)31)11-18(25)32;2*1-3-29(10-16-6-4-15(2)5-7-16)21-19(23)20(26-14-27-21)25-13-22(32)8-9-28(11-17(22)30)12-18(24)31/h2*2-5,14,17-18,31,33H,6-13H2,1H3,(H2,25,32)(H,26,27,28);4-5,8,13,17,31,33H,3,6-7,9-12H2,1-2H3,(H2,25,32)(H,26,27,28);2*4-7,14,17,30,32H,3,8-13H2,1-2H3,(H2,24,31)(H,25,26,27)/t18-,23+;18-,23-;17-,22-;17-,22+;17-,22-/m11111/s1
InChIKeyHCVBUPXMKPBLTB-AJHAOYNFSA-N
XLogP3.65
TPSA639.20 Ų
H-Bond Donors20
H-Bond Acceptors40
Rotatable Bonds45
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002274.65
LogP ≤ 53.65
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1040

Analyze 2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide with MolForge

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Related Compounds

US20230271937, Example D5-1-1-1
CID 156497002
US20230271937, Example D5-3-1-1
CID 156496954
US20230271937, Example D5-3-1-2
CID 156497016
US20230271937, Example D5-1-1-2
CID 156497111
US20230271937, Example D5-2-1-1
CID 156497132
US20230271937, Example D5-2-1-2
CID 156511788
US20230271937, Example D5-10
CID 156511696
2-[4-[[[6-[Ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide
CID 156496919
2-[(3R,4S)-4-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide
CID 156496923
2-[(3R,4S)-4-[[[6-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide
CID 156496941
2-[4-[[[6-[Cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide
CID 156496944
2-[(3R,4R)-4-[[[6-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide
CID 156497001

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide?
The IUPAC name of 2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide (CID 158441132) is 2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide?
The canonical SMILES for 2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide is CCN(Cc1ccc(C)cc1)c1ncnc(NC[C@@]2(O)CCN(CC(N)=O)C[C@H]2O)c1F.CCN(Cc1ccc(C)cc1)c1ncnc(NC[C@]2(O)CCN(CC(N)=O)C[C@H]2O)c1F.CCN(Cc1ccc(C)cc1F)c1ncnc(NC[C@]2(O)CCN(CC(N)=O)C[C@H]2O)c1F.Cc1ccc(CN(c2ncnc(NC[C@@]3(O)CCN(CC(N)=O)C[C@H]3O)c2F)C2CC2)cc1.Cc1ccc(CN(c2ncnc(NC[C@]3(O)CCN(CC(N)=O)C[C@H]3O)c2F)C2CC2)cc1.
What is the InChIKey of 2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide?
The InChIKey is HCVBUPXMKPBLTB-AJHAOYNFSA-N. The full InChI is InChI=1S/2C23H31FN6O3.C22H30F2N6O3.2C22H31FN6O3/c2*1-15-2-4-16(5-3-15)10-30(17-6-7-17)22-20(24)21(27-14-28-22)26-13-23(33)8-9-29(11-18(23)31)12-19(25)32;1-3-30(9-15-5-4-14(2)8-16(15)23)21-19(24)20(27-13-28-21)26-12-22(33)6-7-29(10-17(22)31)11-18(25)32;2*1-3-29(10-16-6-4-15(2)5-7-16)21-19(23)20(26-14-27-21)25-13-22(32)8-9-28(11-17(22)30)12-18(24)31/h2*2-5,14,17-18,31,33H,6-13H2,1H3,(H2,25,32)(H,26,27,28);4-5,8,13,17,31,33H,3,6-7,9-12H2,1-2H3,(H2,25,32)(H,26,27,28);2*4-7,14,17,30,32H,3,8-13H2,1-2H3,(H2,24,31)(H,25,26,27)/t18-,23+;18-,23-;17-,22-;17-,22+;17-,22-/m11111/s1.
What are the key properties of 2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide?
2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide has a molecular weight of 2274.65 g/mol, XLogP of 3.65, 45 rotatable bonds, 20 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide is sourced from PubChem (CID 158441132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).