2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane

C99H136F4N26O10 — CID 158579009

IUPAC2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane
SMILESC.Cc1ccc(CN(c2ncnc(NCC3(CO)CCN(C(CO)C(N)=O)CC3)c2F)C2CC2)cc1.Cc1ccc(CN(c2ncnc(NC[C@@H]3CCN(C(CO)C(N)=O)C[C@H]3O)c2F)C2CC2)cc1.Cn1cc(-c2ccc(CN(c3ncnc(NC[C@H]4CCN(CC(N)=O)C[C@@H]4O)c3F)C3CC3)cc2)cn1.[2H]C([2H])(C(N)=O)N1CC[C@H](CNc2ncnc(N(Cc3ccc(C)cc3)C3CC3)c2F)[C@@H](O)C1
InChIInChI=1S/C26H33FN8O2.C25H35FN6O3.C24H33FN6O3.C23H31FN6O2.CH4/c1-33-13-20(11-32-33)18-4-2-17(3-5-18)12-35(21-6-7-21)26-24(27)25(30-16-31-26)29-10-19-8-9-34(14-22(19)36)15-23(28)37;1-17-2-4-18(5-3-17)12-32(19-6-7-19)24-21(26)23(29-16-30-24)28-14-25(15-34)8-10-31(11-9-25)20(13-33)22(27)35;1-15-2-4-16(5-3-15)11-31(18-6-7-18)24-21(25)23(28-14-29-24)27-10-17-8-9-30(12-20(17)33)19(13-32)22(26)34;1-15-2-4-16(5-3-15)11-30(18-6-7-18)23-21(24)22(27-14-28-23)26-10-17-8-9-29(12-19(17)31)13-20(25)32;/h2-5,11,13,16,19,21-22,36H,6-10,12,14-15H2,1H3,(H2,28,37)(H,29,30,31);2-5,16,19-20,33-34H,6-15H2,1H3,(H2,27,35)(H,28,29,30);2-5,14,17-20,32-33H,6-13H2,1H3,(H2,26,34)(H,27,28,29);2-5,14,17-19,31H,6-13H2,1H3,(H2,25,32)(H,26,27,28);1H4/t19-,22+;;17-,19?,20+;17-,19+;/m1.01./s1/i;;;13D2;
InChIKeyHTACSPPIHHZRAD-YLHYZCMYSA-N
MW1928.35 g/mol
LogP6.53
Rot. Bonds40

About 2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane

2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane (PubChem CID 158579009) has the molecular formula C99H136F4N26O10 and a molecular weight of 1928.35 g/mol. Its IUPAC name is 2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane.

Molecular Properties

Compound Name2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane
PubChem CID158579009
Molecular FormulaC99H136F4N26O10
Molecular Weight1928.35 g/mol
Exact Mass1927.10
IUPAC Name2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane
SMILESC.Cc1ccc(CN(c2ncnc(NCC3(CO)CCN(C(CO)C(N)=O)CC3)c2F)C2CC2)cc1.Cc1ccc(CN(c2ncnc(NC[C@@H]3CCN(C(CO)C(N)=O)C[C@H]3O)c2F)C2CC2)cc1.Cn1cc(-c2ccc(CN(c3ncnc(NC[C@H]4CCN(CC(N)=O)C[C@@H]4O)c3F)C3CC3)cc2)cn1.[2H]C([2H])(C(N)=O)N1CC[C@H](CNc2ncnc(N(Cc3ccc(C)cc3)C3CC3)c2F)[C@@H](O)C1
InChIInChI=1S/C26H33FN8O2.C25H35FN6O3.C24H33FN6O3.C23H31FN6O2.CH4/c1-33-13-20(11-32-33)18-4-2-17(3-5-18)12-35(21-6-7-21)26-24(27)25(30-16-31-26)29-10-19-8-9-34(14-22(19)36)15-23(28)37;1-17-2-4-18(5-3-17)12-32(19-6-7-19)24-21(26)23(29-16-30-24)28-14-25(15-34)8-10-31(11-9-25)20(13-33)22(27)35;1-15-2-4-16(5-3-15)11-31(18-6-7-18)24-21(25)23(28-14-29-24)27-10-17-8-9-30(12-20(17)33)19(13-32)22(26)34;1-15-2-4-16(5-3-15)11-30(18-6-7-18)23-21(24)22(27-14-28-23)26-10-17-8-9-29(12-19(17)31)13-20(25)32;/h2-5,11,13,16,19,21-22,36H,6-10,12,14-15H2,1H3,(H2,28,37)(H,29,30,31);2-5,16,19-20,33-34H,6-15H2,1H3,(H2,27,35)(H,28,29,30);2-5,14,17-20,32-33H,6-13H2,1H3,(H2,26,34)(H,27,28,29);2-5,14,17-19,31H,6-13H2,1H3,(H2,25,32)(H,26,27,28);1H4/t19-,22+;;17-,19?,20+;17-,19+;/m1.01./s1/i;;;13D2;
InChIKeyHTACSPPIHHZRAD-YLHYZCMYSA-N
XLogP6.53
TPSA488.72 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds40
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001928.35
LogP ≤ 56.53
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

Analyze 2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane with MolForge

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Related Compounds

US20230271937, Example D5-5-1
CID 156496905
US20230271937, Example A7-72
CID 156511674
US20230271937, Example A7-75
CID 156511683
US20230271937, Example A7-74
CID 156511745
US20230271937, Example A7-73
CID 156511786
US20230271937, Example D5-5-2
CID 168678330
2-[(3R,4R)-4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 156496908
2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 156496963
2-[4-[[[6-[Cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 156496990
2-[4-[[[6-[Cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 156497005
2-[(3R,4R)-4-[[[6-[ethyl-[[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 156497087
2-[4-[[[6-[Ethyl-[[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 156497153

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane?
The IUPAC name of 2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane (CID 158579009) is 2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane.
What is the SMILES notation for 2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane?
The canonical SMILES for 2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane is C.Cc1ccc(CN(c2ncnc(NCC3(CO)CCN(C(CO)C(N)=O)CC3)c2F)C2CC2)cc1.Cc1ccc(CN(c2ncnc(NC[C@@H]3CCN(C(CO)C(N)=O)C[C@H]3O)c2F)C2CC2)cc1.Cn1cc(-c2ccc(CN(c3ncnc(NC[C@H]4CCN(CC(N)=O)C[C@@H]4O)c3F)C3CC3)cc2)cn1.[2H]C([2H])(C(N)=O)N1CC[C@H](CNc2ncnc(N(Cc3ccc(C)cc3)C3CC3)c2F)[C@@H](O)C1.
What is the InChIKey of 2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane?
The InChIKey is HTACSPPIHHZRAD-YLHYZCMYSA-N. The full InChI is InChI=1S/C26H33FN8O2.C25H35FN6O3.C24H33FN6O3.C23H31FN6O2.CH4/c1-33-13-20(11-32-33)18-4-2-17(3-5-18)12-35(21-6-7-21)26-24(27)25(30-16-31-26)29-10-19-8-9-34(14-22(19)36)15-23(28)37;1-17-2-4-18(5-3-17)12-32(19-6-7-19)24-21(26)23(29-16-30-24)28-14-25(15-34)8-10-31(11-9-25)20(13-33)22(27)35;1-15-2-4-16(5-3-15)11-31(18-6-7-18)24-21(25)23(28-14-29-24)27-10-17-8-9-30(12-20(17)33)19(13-32)22(26)34;1-15-2-4-16(5-3-15)11-30(18-6-7-18)23-21(24)22(27-14-28-23)26-10-17-8-9-29(12-19(17)31)13-20(25)32;/h2-5,11,13,16,19,21-22,36H,6-10,12,14-15H2,1H3,(H2,28,37)(H,29,30,31);2-5,16,19-20,33-34H,6-15H2,1H3,(H2,27,35)(H,28,29,30);2-5,14,17-20,32-33H,6-13H2,1H3,(H2,26,34)(H,27,28,29);2-5,14,17-19,31H,6-13H2,1H3,(H2,25,32)(H,26,27,28);1H4/t19-,22+;;17-,19?,20+;17-,19+;/m1.01./s1/i;;;13D2;.
What are the key properties of 2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane?
2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane has a molecular weight of 1928.35 g/mol, XLogP of 6.53, 40 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane is sourced from PubChem (CID 158579009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).