N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C103H109F4N35O12S2 — CID 159244863

IUPACN-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(Oc2cc(-c3cnc(N)[nH]c3=O)nc(N3CCOCC3)n2)CC1.COc1ccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)cn1.CS(=O)(=O)Nc1ncccc1-c1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1.Cc1c(Nc2nc(-c3ccccc3)cs2)nc(N2CCOCC2)nc1-c1cnc(N)cc1C(F)(F)F.Nc1cc(F)c(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H22F3N7OS.C22H20FN7O.C19H25N7O5.C19H21N7O3S.C19H21N7O2/c1-14-20(16-12-29-19(28)11-17(16)24(25,26)27)31-22(34-7-9-35-10-8-34)32-21(14)33-23-30-18(13-36-23)15-5-3-2-4-6-15;23-17-10-20(24)26-13-16(17)19-11-21(29-22(28-19)30-5-7-31-8-6-30)27-15-9-14-3-1-2-4-18(14)25-12-15;1-29-19(28)26-4-2-12(3-5-26)31-15-10-14(13-11-21-17(20)24-16(13)27)22-18(23-15)25-6-8-30-9-7-25;1-30(27,28)25-18-14(3-2-6-21-18)16-11-15(13-4-5-17(20)22-12-13)23-19(24-16)26-7-9-29-10-8-26;1-27-18-5-3-14(12-22-18)23-17-10-15(13-2-4-16(20)21-11-13)24-19(25-17)26-6-8-28-9-7-26/h2-6,11-13H,7-10H2,1H3,(H2,28,29)(H,30,31,32,33);1-4,9-13H,5-8H2,(H2,24,26)(H,27,28,29);10-12H,2-9H2,1H3,(H3,20,21,24,27);2-6,11-12H,7-10H2,1H3,(H2,20,22)(H,21,25);2-5,10-12H,6-9H2,1H3,(H2,20,21)(H,23,24,25)
InChIKeyKUOBAXOCRIQLBD-UHFFFAOYSA-N
MW2169.36 g/mol
LogP12.29
Rot. Bonds23

About N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate

N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 159244863) has the molecular formula C103H109F4N35O12S2 and a molecular weight of 2169.36 g/mol. Its IUPAC name is N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound NameN-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID159244863
Molecular FormulaC103H109F4N35O12S2
Molecular Weight2169.36 g/mol
Exact Mass2167.84
IUPAC NameN-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(Oc2cc(-c3cnc(N)[nH]c3=O)nc(N3CCOCC3)n2)CC1.COc1ccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)cn1.CS(=O)(=O)Nc1ncccc1-c1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1.Cc1c(Nc2nc(-c3ccccc3)cs2)nc(N2CCOCC2)nc1-c1cnc(N)cc1C(F)(F)F.Nc1cc(F)c(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H22F3N7OS.C22H20FN7O.C19H25N7O5.C19H21N7O3S.C19H21N7O2/c1-14-20(16-12-29-19(28)11-17(16)24(25,26)27)31-22(34-7-9-35-10-8-34)32-21(14)33-23-30-18(13-36-23)15-5-3-2-4-6-15;23-17-10-20(24)26-13-16(17)19-11-21(29-22(28-19)30-5-7-31-8-6-30)27-15-9-14-3-1-2-4-18(14)25-12-15;1-29-19(28)26-4-2-12(3-5-26)31-15-10-14(13-11-21-17(20)24-16(13)27)22-18(23-15)25-6-8-30-9-7-25;1-30(27,28)25-18-14(3-2-6-21-18)16-11-15(13-4-5-17(20)22-12-13)23-19(24-16)26-7-9-29-10-8-26;1-27-18-5-3-14(12-22-18)23-17-10-15(13-2-4-16(20)21-11-13)24-19(25-17)26-6-8-28-9-7-26/h2-6,11-13H,7-10H2,1H3,(H2,28,29)(H,30,31,32,33);1-4,9-13H,5-8H2,(H2,24,26)(H,27,28,29);10-12H,2-9H2,1H3,(H3,20,21,24,27);2-6,11-12H,7-10H2,1H3,(H2,20,22)(H,21,25);2-5,10-12H,6-9H2,1H3,(H2,20,21)(H,23,24,25)
InChIKeyKUOBAXOCRIQLBD-UHFFFAOYSA-N
XLogP12.29
TPSA600.48 Ų
H-Bond Donors10
H-Bond Acceptors45
Rotatable Bonds23
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002169.36
LogP ≤ 512.29
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1045

Analyze N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 159244863) is N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate is COC(=O)N1CCC(Oc2cc(-c3cnc(N)[nH]c3=O)nc(N3CCOCC3)n2)CC1.COc1ccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)cn1.CS(=O)(=O)Nc1ncccc1-c1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1.Cc1c(Nc2nc(-c3ccccc3)cs2)nc(N2CCOCC2)nc1-c1cnc(N)cc1C(F)(F)F.Nc1cc(F)c(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is KUOBAXOCRIQLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7OS.C22H20FN7O.C19H25N7O5.C19H21N7O3S.C19H21N7O2/c1-14-20(16-12-29-19(28)11-17(16)24(25,26)27)31-22(34-7-9-35-10-8-34)32-21(14)33-23-30-18(13-36-23)15-5-3-2-4-6-15;23-17-10-20(24)26-13-16(17)19-11-21(29-22(28-19)30-5-7-31-8-6-30)27-15-9-14-3-1-2-4-18(14)25-12-15;1-29-19(28)26-4-2-12(3-5-26)31-15-10-14(13-11-21-17(20)24-16(13)27)22-18(23-15)25-6-8-30-9-7-25;1-30(27,28)25-18-14(3-2-6-21-18)16-11-15(13-4-5-17(20)22-12-13)23-19(24-16)26-7-9-29-10-8-26;1-27-18-5-3-14(12-22-18)23-17-10-15(13-2-4-16(20)21-11-13)24-19(25-17)26-6-8-28-9-7-26/h2-6,11-13H,7-10H2,1H3,(H2,28,29)(H,30,31,32,33);1-4,9-13H,5-8H2,(H2,24,26)(H,27,28,29);10-12H,2-9H2,1H3,(H3,20,21,24,27);2-6,11-12H,7-10H2,1H3,(H2,20,22)(H,21,25);2-5,10-12H,6-9H2,1H3,(H2,20,21)(H,23,24,25).
What are the key properties of N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 2169.36 g/mol, XLogP of 12.29, 23 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 159244863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).