N-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one

C100H112F3N35O13S3 — CID 159141856

IUPACN-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC[C@@H](Oc2cc(-c3cnc(N)nc3N)nc(N3CCOCC3)n2)C1.CS(=O)(=O)Nc1ncccc1-c1cc(-c2cnc(N)cc2C#N)nc(N2CCOCC2)n1.CS(=O)(=O)c1cccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)c1.CS(=O)(=O)c1ccccc1Nc1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1.Nc1ccc(-c2cc(Nc3ccncc3C(F)(F)F)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H30N8O3.C20H20N8O3S.2C20H22N6O3S.C19H18F3N7O/c1-13(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;1-32(29,30)27-19-14(3-2-4-23-19)16-10-17(15-12-24-18(22)9-13(15)11-21)26-20(25-16)28-5-7-31-8-6-28;1-30(27,28)16-4-2-3-15(11-16)23-19-12-17(14-5-6-18(21)22-13-14)24-20(25-19)26-7-9-29-10-8-26;1-30(27,28)17-5-3-2-4-15(17)23-19-12-16(14-6-7-18(21)22-13-14)24-20(25-19)26-8-10-29-11-9-26;20-19(21,22)13-11-24-4-3-14(13)26-17-9-15(12-1-2-16(23)25-10-12)27-18(28-17)29-5-7-30-8-6-29/h10-11,13-14H,3-9,12H2,1-2H3,(H4,22,23,24,27);2-4,9-10,12H,5-8H2,1H3,(H2,22,24)(H,23,27);2-6,11-13H,7-10H2,1H3,(H2,21,22)(H,23,24,25);2-7,12-13H,8-11H2,1H3,(H2,21,22)(H,23,24,25);1-4,9-11H,5-8H2,(H2,23,25)(H,24,26,27,28)/t14-;;;;/m1..../s1
InChIKeyKIEMEQVRYRZWKF-WGVOJFRMSA-N
MW2165.42 g/mol
LogP9.55
Rot. Bonds24

About N-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one

N-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 159141856) has the molecular formula C100H112F3N35O13S3 and a molecular weight of 2165.42 g/mol. Its IUPAC name is N-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound NameN-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
PubChem CID159141856
Molecular FormulaC100H112F3N35O13S3
Molecular Weight2165.42 g/mol
Exact Mass2163.83
IUPAC NameN-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC[C@@H](Oc2cc(-c3cnc(N)nc3N)nc(N3CCOCC3)n2)C1.CS(=O)(=O)Nc1ncccc1-c1cc(-c2cnc(N)cc2C#N)nc(N2CCOCC2)n1.CS(=O)(=O)c1cccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)c1.CS(=O)(=O)c1ccccc1Nc1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1.Nc1ccc(-c2cc(Nc3ccncc3C(F)(F)F)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H30N8O3.C20H20N8O3S.2C20H22N6O3S.C19H18F3N7O/c1-13(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;1-32(29,30)27-19-14(3-2-4-23-19)16-10-17(15-12-24-18(22)9-13(15)11-21)26-20(25-16)28-5-7-31-8-6-28;1-30(27,28)16-4-2-3-15(11-16)23-19-12-17(14-5-6-18(21)22-13-14)24-20(25-19)26-7-9-29-10-8-26;1-30(27,28)17-5-3-2-4-15(17)23-19-12-16(14-6-7-18(21)22-13-14)24-20(25-19)26-8-10-29-11-9-26;20-19(21,22)13-11-24-4-3-14(13)26-17-9-15(12-1-2-16(23)25-10-12)27-18(28-17)29-5-7-30-8-6-29/h10-11,13-14H,3-9,12H2,1-2H3,(H4,22,23,24,27);2-4,9-10,12H,5-8H2,1H3,(H2,22,24)(H,23,27);2-6,11-13H,7-10H2,1H3,(H2,21,22)(H,23,24,25);2-7,12-13H,8-11H2,1H3,(H2,21,22)(H,23,24,25);1-4,9-11H,5-8H2,(H2,23,25)(H,24,26,27,28)/t14-;;;;/m1..../s1
InChIKeyKIEMEQVRYRZWKF-WGVOJFRMSA-N
XLogP9.55
TPSA654.36 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds24
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002165.42
LogP ≤ 59.55
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Analyze N-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of N-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one (CID 159141856) is N-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for N-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for N-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC[C@@H](Oc2cc(-c3cnc(N)nc3N)nc(N3CCOCC3)n2)C1.CS(=O)(=O)Nc1ncccc1-c1cc(-c2cnc(N)cc2C#N)nc(N2CCOCC2)n1.CS(=O)(=O)c1cccc(Nc2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)c1.CS(=O)(=O)c1ccccc1Nc1cc(-c2ccc(N)nc2)nc(N2CCOCC2)n1.Nc1ccc(-c2cc(Nc3ccncc3C(F)(F)F)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is KIEMEQVRYRZWKF-WGVOJFRMSA-N. The full InChI is InChI=1S/C21H30N8O3.C20H20N8O3S.2C20H22N6O3S.C19H18F3N7O/c1-13(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;1-32(29,30)27-19-14(3-2-4-23-19)16-10-17(15-12-24-18(22)9-13(15)11-21)26-20(25-16)28-5-7-31-8-6-28;1-30(27,28)16-4-2-3-15(11-16)23-19-12-17(14-5-6-18(21)22-13-14)24-20(25-19)26-7-9-29-10-8-26;1-30(27,28)17-5-3-2-4-15(17)23-19-12-16(14-6-7-18(21)22-13-14)24-20(25-19)26-8-10-29-11-9-26;20-19(21,22)13-11-24-4-3-14(13)26-17-9-15(12-1-2-16(23)25-10-12)27-18(28-17)29-5-7-30-8-6-29/h10-11,13-14H,3-9,12H2,1-2H3,(H4,22,23,24,27);2-4,9-10,12H,5-8H2,1H3,(H2,22,24)(H,23,27);2-6,11-13H,7-10H2,1H3,(H2,21,22)(H,23,24,25);2-7,12-13H,8-11H2,1H3,(H2,21,22)(H,23,24,25);1-4,9-11H,5-8H2,(H2,23,25)(H,24,26,27,28)/t14-;;;;/m1..../s1.
What are the key properties of N-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one?
N-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 2165.42 g/mol, XLogP of 9.55, 24 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(6-amino-4-cyano-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-(6-amino-3-pyridinyl)-N-(2-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-N-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(6-amino-3-pyridinyl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;1-[(3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 159141856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).