6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine

C101H125N43O11S — CID 160848408

IUPAC6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine
SMILESC.CC(C)C(=O)N1CCC[C@H](Oc2cc(-c3cnc(N)nc3N)nc(N3CCOCC3)n2)C1.CC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)nc4N)nc(N4CCOCC4)n3)cn2)CC1.COc1ccc(Nc2cc(-c3cnc(N)nc3N)nc(N3CCOCC3)n2)cn1.N#Cc1cnc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)s1.Nc1ncc(-c2cc(Nc3ccc4c(c3)OCCO4)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C25H34N10O2.C21H30N8O3.C20H21N7O3.C18H21N9O2.C16H15N9OS.CH4/c1-16(2)34-7-5-18(6-8-34)37-22-4-3-17(14-28-22)30-21-13-20(19-15-29-24(27)33-23(19)26)31-25(32-21)35-9-11-36-12-10-35;1-13(2)19(30)29-5-3-4-14(12-29)32-17-10-16(15-11-24-20(23)27-18(15)22)25-21(26-17)28-6-8-31-9-7-28;21-19-22-11-13(12-23-19)15-10-18(26-20(25-15)27-3-5-28-6-4-27)24-14-1-2-16-17(9-14)30-8-7-29-16;1-28-15-3-2-11(9-21-15)23-14-8-13(12-10-22-17(20)26-16(12)19)24-18(25-14)27-4-6-29-7-5-27;17-6-11-9-21-16(27-11)24-13-5-12(10-7-19-14(18)20-8-10)22-15(23-13)25-1-3-26-4-2-25;/h3-4,13-16,18H,5-12H2,1-2H3,(H,30,31,32)(H4,26,27,29,33);10-11,13-14H,3-9,12H2,1-2H3,(H4,22,23,24,27);1-2,9-12H,3-8H2,(H2,21,22,23)(H,24,25,26);2-3,8-10H,4-7H2,1H3,(H,23,24,25)(H4,19,20,22,26);5,7-9H,1-4H2,(H2,18,19,20)(H,21,22,23,24);1H4/t;14-;;;;/m.0..../s1
InChIKeySIYDDFJMODACGU-NKTLZYDQSA-N
MW2149.47 g/mol
LogP8.29
Rot. Bonds25

About 6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine

6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine (PubChem CID 160848408) has the molecular formula C101H125N43O11S and a molecular weight of 2149.47 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine
PubChem CID160848408
Molecular FormulaC101H125N43O11S
Molecular Weight2149.47 g/mol
Exact Mass2148.03
IUPAC Name6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine
SMILESC.CC(C)C(=O)N1CCC[C@H](Oc2cc(-c3cnc(N)nc3N)nc(N3CCOCC3)n2)C1.CC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)nc4N)nc(N4CCOCC4)n3)cn2)CC1.COc1ccc(Nc2cc(-c3cnc(N)nc3N)nc(N3CCOCC3)n2)cn1.N#Cc1cnc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)s1.Nc1ncc(-c2cc(Nc3ccc4c(c3)OCCO4)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C25H34N10O2.C21H30N8O3.C20H21N7O3.C18H21N9O2.C16H15N9OS.CH4/c1-16(2)34-7-5-18(6-8-34)37-22-4-3-17(14-28-22)30-21-13-20(19-15-29-24(27)33-23(19)26)31-25(32-21)35-9-11-36-12-10-35;1-13(2)19(30)29-5-3-4-14(12-29)32-17-10-16(15-11-24-20(23)27-18(15)22)25-21(26-17)28-6-8-31-9-7-28;21-19-22-11-13(12-23-19)15-10-18(26-20(25-15)27-3-5-28-6-4-27)24-14-1-2-16-17(9-14)30-8-7-29-16;1-28-15-3-2-11(9-21-15)23-14-8-13(12-10-22-17(20)26-16(12)19)24-18(25-14)27-4-6-29-7-5-27;17-6-11-9-21-16(27-11)24-13-5-12(10-7-19-14(18)20-8-10)22-15(23-13)25-1-3-26-4-2-25;/h3-4,13-16,18H,5-12H2,1-2H3,(H,30,31,32)(H4,26,27,29,33);10-11,13-14H,3-9,12H2,1-2H3,(H4,22,23,24,27);1-2,9-12H,3-8H2,(H2,21,22,23)(H,24,25,26);2-3,8-10H,4-7H2,1H3,(H,23,24,25)(H4,19,20,22,26);5,7-9H,1-4H2,(H2,18,19,20)(H,21,22,23,24);1H4/t;14-;;;;/m.0..../s1
InChIKeySIYDDFJMODACGU-NKTLZYDQSA-N
XLogP8.29
TPSA708.59 Ų
H-Bond Donors12
H-Bond Acceptors54
Rotatable Bonds25
Heavy Atoms156
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002149.47
LogP ≤ 58.29
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1054

Analyze 6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine (CID 160848408) is 6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine is C.CC(C)C(=O)N1CCC[C@H](Oc2cc(-c3cnc(N)nc3N)nc(N3CCOCC3)n2)C1.CC(C)N1CCC(Oc2ccc(Nc3cc(-c4cnc(N)nc4N)nc(N4CCOCC4)n3)cn2)CC1.COc1ccc(Nc2cc(-c3cnc(N)nc3N)nc(N3CCOCC3)n2)cn1.N#Cc1cnc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)s1.Nc1ncc(-c2cc(Nc3ccc4c(c3)OCCO4)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine?
The InChIKey is SIYDDFJMODACGU-NKTLZYDQSA-N. The full InChI is InChI=1S/C25H34N10O2.C21H30N8O3.C20H21N7O3.C18H21N9O2.C16H15N9OS.CH4/c1-16(2)34-7-5-18(6-8-34)37-22-4-3-17(14-28-22)30-21-13-20(19-15-29-24(27)33-23(19)26)31-25(32-21)35-9-11-36-12-10-35;1-13(2)19(30)29-5-3-4-14(12-29)32-17-10-16(15-11-24-20(23)27-18(15)22)25-21(26-17)28-6-8-31-9-7-28;21-19-22-11-13(12-23-19)15-10-18(26-20(25-15)27-3-5-28-6-4-27)24-14-1-2-16-17(9-14)30-8-7-29-16;1-28-15-3-2-11(9-21-15)23-14-8-13(12-10-22-17(20)26-16(12)19)24-18(25-14)27-4-6-29-7-5-27;17-6-11-9-21-16(27-11)24-13-5-12(10-7-19-14(18)20-8-10)22-15(23-13)25-1-3-26-4-2-25;/h3-4,13-16,18H,5-12H2,1-2H3,(H,30,31,32)(H4,26,27,29,33);10-11,13-14H,3-9,12H2,1-2H3,(H4,22,23,24,27);1-2,9-12H,3-8H2,(H2,21,22,23)(H,24,25,26);2-3,8-10H,4-7H2,1H3,(H,23,24,25)(H4,19,20,22,26);5,7-9H,1-4H2,(H2,18,19,20)(H,21,22,23,24);1H4/t;14-;;;;/m.0..../s1.
What are the key properties of 6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine?
6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine has a molecular weight of 2149.47 g/mol, XLogP of 8.29, 25 rotatable bonds, 12 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;1-[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one;methane;5-[6-[(6-methoxy-3-pyridinyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine;5-[2-morpholin-4-yl-6-[[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]amino]pyrimidin-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160848408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).