6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one

C110H117N35O9 — CID 158118725

IUPAC6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one
SMILESCC(=O)Cc1ccccc1Nc1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1.CC(=O)N1CCc2ccc(Nc3cc(-c4ccc(N)nc4)nc(N4CCOCC4)n3)cc21.CC(=O)N1CCc2cccc(Nc3cc(-c4ccc(N)nc4)nc(N4CCOCC4)n3)c21.NC(=O)c1ccccc1Nc1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1.Nc1ccc(-c2cc(Nc3ccccc3-n3ccnc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/2C23H25N7O2.C22H22N8O.C22H24N6O2.C20H21N7O2/c1-15(31)30-7-6-16-2-4-18(12-20(16)30)26-22-13-19(17-3-5-21(24)25-14-17)27-23(28-22)29-8-10-32-11-9-29;1-15(31)30-8-7-16-3-2-4-18(22(16)30)26-21-13-19(17-5-6-20(24)25-14-17)27-23(28-21)29-9-11-32-12-10-29;23-20-6-5-16(14-25-20)18-13-21(28-22(27-18)29-9-11-31-12-10-29)26-17-3-1-2-4-19(17)30-8-7-24-15-30;1-15(29)12-16-4-2-3-5-18(16)25-21-13-19(17-6-7-20(23)24-14-17)26-22(27-21)28-8-10-30-11-9-28;21-17-6-5-13(12-23-17)16-11-18(24-15-4-2-1-3-14(15)19(22)28)26-20(25-16)27-7-9-29-10-8-27/h2-5,12-14H,6-11H2,1H3,(H2,24,25)(H,26,27,28);2-6,13-14H,7-12H2,1H3,(H2,24,25)(H,26,27,28);1-8,13-15H,9-12H2,(H2,23,25)(H,26,27,28);2-7,13-14H,8-12H2,1H3,(H2,23,24)(H,25,26,27);1-6,11-12H,7-10H2,(H2,21,23)(H2,22,28)(H,24,25,26)
InChIKeyFRIOAJHNHILZSW-UHFFFAOYSA-N
MW2073.38 g/mol
LogP12.74
Rot. Bonds24

About 6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one

6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one (PubChem CID 158118725) has the molecular formula C110H117N35O9 and a molecular weight of 2073.38 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one
PubChem CID158118725
Molecular FormulaC110H117N35O9
Molecular Weight2073.38 g/mol
Exact Mass2071.98
IUPAC Name6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one
SMILESCC(=O)Cc1ccccc1Nc1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1.CC(=O)N1CCc2ccc(Nc3cc(-c4ccc(N)nc4)nc(N4CCOCC4)n3)cc21.CC(=O)N1CCc2cccc(Nc3cc(-c4ccc(N)nc4)nc(N4CCOCC4)n3)c21.NC(=O)c1ccccc1Nc1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1.Nc1ccc(-c2cc(Nc3ccccc3-n3ccnc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/2C23H25N7O2.C22H22N8O.C22H24N6O2.C20H21N7O2/c1-15(31)30-7-6-16-2-4-18(12-20(16)30)26-22-13-19(17-3-5-21(24)25-14-17)27-23(28-22)29-8-10-32-11-9-29;1-15(31)30-8-7-16-3-2-4-18(22(16)30)26-21-13-19(17-5-6-20(24)25-14-17)27-23(28-21)29-9-11-32-12-10-29;23-20-6-5-16(14-25-20)18-13-21(28-22(27-18)29-9-11-31-12-10-29)26-17-3-1-2-4-19(17)30-8-7-24-15-30;1-15(29)12-16-4-2-3-5-18(16)25-21-13-19(17-6-7-20(23)24-14-17)26-22(27-21)28-8-10-30-11-9-28;21-17-6-5-13(12-23-17)16-11-18(24-15-4-2-1-3-14(15)19(22)28)26-20(25-16)27-7-9-29-10-8-27/h2-5,12-14H,6-11H2,1H3,(H2,24,25)(H,26,27,28);2-6,13-14H,7-12H2,1H3,(H2,24,25)(H,26,27,28);1-8,13-15H,9-12H2,(H2,23,25)(H,26,27,28);2-7,13-14H,8-12H2,1H3,(H2,23,24)(H,25,26,27);1-6,11-12H,7-10H2,(H2,21,23)(H2,22,28)(H,24,25,26)
InChIKeyFRIOAJHNHILZSW-UHFFFAOYSA-N
XLogP12.74
TPSA564.55 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds24
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002073.38
LogP ≤ 512.74
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Analyze 6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one?
The IUPAC name of 6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one (CID 158118725) is 6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one is CC(=O)Cc1ccccc1Nc1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1.CC(=O)N1CCc2ccc(Nc3cc(-c4ccc(N)nc4)nc(N4CCOCC4)n3)cc21.CC(=O)N1CCc2cccc(Nc3cc(-c4ccc(N)nc4)nc(N4CCOCC4)n3)c21.NC(=O)c1ccccc1Nc1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1.Nc1ccc(-c2cc(Nc3ccccc3-n3ccnc3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one?
The InChIKey is FRIOAJHNHILZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H25N7O2.C22H22N8O.C22H24N6O2.C20H21N7O2/c1-15(31)30-7-6-16-2-4-18(12-20(16)30)26-22-13-19(17-3-5-21(24)25-14-17)27-23(28-22)29-8-10-32-11-9-29;1-15(31)30-8-7-16-3-2-4-18(22(16)30)26-21-13-19(17-5-6-20(24)25-14-17)27-23(28-21)29-9-11-32-12-10-29;23-20-6-5-16(14-25-20)18-13-21(28-22(27-18)29-9-11-31-12-10-29)26-17-3-1-2-4-19(17)30-8-7-24-15-30;1-15(29)12-16-4-2-3-5-18(16)25-21-13-19(17-6-7-20(23)24-14-17)26-22(27-21)28-8-10-30-11-9-28;21-17-6-5-13(12-23-17)16-11-18(24-15-4-2-1-3-14(15)19(22)28)26-20(25-16)27-7-9-29-10-8-27/h2-5,12-14H,6-11H2,1H3,(H2,24,25)(H,26,27,28);2-6,13-14H,7-12H2,1H3,(H2,24,25)(H,26,27,28);1-8,13-15H,9-12H2,(H2,23,25)(H,26,27,28);2-7,13-14H,8-12H2,1H3,(H2,23,24)(H,25,26,27);1-6,11-12H,7-10H2,(H2,21,23)(H2,22,28)(H,24,25,26).
What are the key properties of 6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one?
6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one has a molecular weight of 2073.38 g/mol, XLogP of 12.74, 24 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-N-(2-imidazol-1-ylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide;1-[6-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[7-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone;1-[2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]propan-2-one is sourced from PubChem (CID 158118725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).