N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane

C109H114ClN35O8 — CID 158837915

IUPACN-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane
SMILESC.CC(=O)c1cccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)c1.COc1ccc2ncc(Nc3cc(-c4cnc(N)nc4)nc(N4CCOCC4)n3)cc2c1.N#Cc1ccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)cc1.Nc1cc(Cl)c(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1.Nc1ccc(-c2cc(Nc3ccccc3N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H27N7O2.C22H20ClN7O.C22H22N8O2.C21H22N6O2.C20H19N7O.CH4/c24-21-6-5-17(16-25-21)19-15-22(28-23(27-19)30-9-13-32-14-10-30)26-18-3-1-2-4-20(18)29-7-11-31-12-8-29;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;1-31-17-2-3-18-14(9-17)8-16(13-24-18)27-20-10-19(15-11-25-21(23)26-12-15)28-22(29-20)30-4-6-32-7-5-30;1-14(28)15-3-2-4-17(11-15)24-20-12-18(16-5-6-19(22)23-13-16)25-21(26-20)27-7-9-29-10-8-27;21-12-14-1-4-16(5-2-14)24-19-11-17(15-3-6-18(22)23-13-15)25-20(26-19)27-7-9-28-10-8-27;/h1-6,15-16H,7-14H2,(H2,24,25)(H,26,27,28);1-4,9-13H,5-8H2,(H2,24,26)(H,27,28,29);2-3,8-13H,4-7H2,1H3,(H2,23,25,26)(H,27,28,29);2-6,11-13H,7-10H2,1H3,(H2,22,23)(H,24,25,26);1-6,11,13H,7-10H2,(H2,22,23)(H,24,25,26);1H4
InChIKeyIXWGDWPUOZWCFI-UHFFFAOYSA-N
MW2077.80 g/mol
LogP15.21
Rot. Bonds23

About N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane

N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane (PubChem CID 158837915) has the molecular formula C109H114ClN35O8 and a molecular weight of 2077.80 g/mol. Its IUPAC name is N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane.

Molecular Properties

Compound NameN-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane
PubChem CID158837915
Molecular FormulaC109H114ClN35O8
Molecular Weight2077.80 g/mol
Exact Mass2075.93
IUPAC NameN-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane
SMILESC.CC(=O)c1cccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)c1.COc1ccc2ncc(Nc3cc(-c4cnc(N)nc4)nc(N4CCOCC4)n3)cc2c1.N#Cc1ccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)cc1.Nc1cc(Cl)c(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1.Nc1ccc(-c2cc(Nc3ccccc3N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H27N7O2.C22H20ClN7O.C22H22N8O2.C21H22N6O2.C20H19N7O.CH4/c24-21-6-5-17(16-25-21)19-15-22(28-23(27-19)30-9-13-32-14-10-30)26-18-3-1-2-4-20(18)29-7-11-31-12-8-29;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;1-31-17-2-3-18-14(9-17)8-16(13-24-18)27-20-10-19(15-11-25-21(23)26-12-15)28-22(29-20)30-4-6-32-7-5-30;1-14(28)15-3-2-4-17(11-15)24-20-12-18(16-5-6-19(22)23-13-16)25-21(26-20)27-7-9-29-10-8-27;21-12-14-1-4-16(5-2-14)24-19-11-17(15-3-6-18(22)23-13-15)25-20(26-19)27-7-9-28-10-8-27;/h1-6,15-16H,7-14H2,(H2,24,25)(H,26,27,28);1-4,9-13H,5-8H2,(H2,24,26)(H,27,28,29);2-3,8-13H,4-7H2,1H3,(H2,23,25,26)(H,27,28,29);2-6,11-13H,7-10H2,1H3,(H2,22,23)(H,24,25,26);1-6,11,13H,7-10H2,(H2,22,23)(H,24,25,26);1H4
InChIKeyIXWGDWPUOZWCFI-UHFFFAOYSA-N
XLogP15.21
TPSA547.18 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds23
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002077.80
LogP ≤ 515.21
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Analyze N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane?
The IUPAC name of N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane (CID 158837915) is N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane.
What is the SMILES notation for N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane?
The canonical SMILES for N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane is C.CC(=O)c1cccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)c1.COc1ccc2ncc(Nc3cc(-c4cnc(N)nc4)nc(N4CCOCC4)n3)cc2c1.N#Cc1ccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)cc1.Nc1cc(Cl)c(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1.Nc1ccc(-c2cc(Nc3ccccc3N3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane?
The InChIKey is IXWGDWPUOZWCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2.C22H20ClN7O.C22H22N8O2.C21H22N6O2.C20H19N7O.CH4/c24-21-6-5-17(16-25-21)19-15-22(28-23(27-19)30-9-13-32-14-10-30)26-18-3-1-2-4-20(18)29-7-11-31-12-8-29;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;1-31-17-2-3-18-14(9-17)8-16(13-24-18)27-20-10-19(15-11-25-21(23)26-12-15)28-22(29-20)30-4-6-32-7-5-30;1-14(28)15-3-2-4-17(11-15)24-20-12-18(16-5-6-19(22)23-13-16)25-21(26-20)27-7-9-29-10-8-27;21-12-14-1-4-16(5-2-14)24-19-11-17(15-3-6-18(22)23-13-15)25-20(26-19)27-7-9-28-10-8-27;/h1-6,15-16H,7-14H2,(H2,24,25)(H,26,27,28);1-4,9-13H,5-8H2,(H2,24,26)(H,27,28,29);2-3,8-13H,4-7H2,1H3,(H2,23,25,26)(H,27,28,29);2-6,11-13H,7-10H2,1H3,(H2,22,23)(H,24,25,26);1-6,11,13H,7-10H2,(H2,22,23)(H,24,25,26);1H4.
What are the key properties of N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane?
N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane has a molecular weight of 2077.80 g/mol, XLogP of 15.21, 23 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzonitrile;1-[3-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]ethanone;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-6-methoxyquinolin-3-amine;methane is sourced from PubChem (CID 158837915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).