N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C104H111F3N38O11S — CID 161043890

IUPACN-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCOc1ccc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cn1.CS(=O)(=O)c1cccc(-c2cc(-c3cnc(N)cc3C#N)nc(N3CCOCC3)n2)c1.Cc1nc(N)ncc1-c1cc(Nc2cnc3ccccc3c2)nc(N2CCOCC2)n1.N#Cc1cc(N)ncc1-c1cc(Nc2ccncc2C(F)(F)F)nc(N2CCOCC2)n1.Nc1ncc(-c2cc(OC3CCN(C(=O)OC4CCCC4)CC3)nc(N3CCOCC3)n2)c(N)n1
InChIInChI=1S/C23H32N8O4.C22H22N8O.C21H20N6O3S.C20H17F3N8O.C18H20N8O2/c24-20-17(14-26-21(25)29-20)18-13-19(28-22(27-18)30-9-11-33-12-10-30)34-16-5-7-31(8-6-16)23(32)35-15-3-1-2-4-15;1-14-17(13-25-21(23)26-14)19-11-20(29-22(28-19)30-6-8-31-9-7-30)27-16-10-15-4-2-3-5-18(15)24-12-16;1-31(28,29)16-4-2-3-14(9-16)18-11-19(17-13-24-20(23)10-15(17)12-22)26-21(25-18)27-5-7-30-8-6-27;21-20(22,23)14-11-26-2-1-15(14)28-18-8-16(13-10-27-17(25)7-12(13)9-24)29-19(30-18)31-3-5-32-6-4-31;1-27-16-3-2-13(11-20-16)23-15-8-14(12-9-21-17(19)22-10-12)24-18(25-15)26-4-6-28-7-5-26/h13-16H,1-12H2,(H4,24,25,26,29);2-5,10-13H,6-9H2,1H3,(H2,23,25,26)(H,27,28,29);2-4,9-11,13H,5-8H2,1H3,(H2,23,24);1-2,7-8,10-11H,3-6H2,(H2,25,27)(H,26,28,29,30);2-3,8-11H,4-7H2,1H3,(H2,19,21,22)(H,23,24,25)
InChIKeyUBFYSEWPKXCHFM-UHFFFAOYSA-N
MW2158.35 g/mol
LogP11.20
Rot. Bonds22

About N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate

N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 161043890) has the molecular formula C104H111F3N38O11S and a molecular weight of 2158.35 g/mol. Its IUPAC name is N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound NameN-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID161043890
Molecular FormulaC104H111F3N38O11S
Molecular Weight2158.35 g/mol
Exact Mass2156.90
IUPAC NameN-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCOc1ccc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cn1.CS(=O)(=O)c1cccc(-c2cc(-c3cnc(N)cc3C#N)nc(N3CCOCC3)n2)c1.Cc1nc(N)ncc1-c1cc(Nc2cnc3ccccc3c2)nc(N2CCOCC2)n1.N#Cc1cc(N)ncc1-c1cc(Nc2ccncc2C(F)(F)F)nc(N2CCOCC2)n1.Nc1ncc(-c2cc(OC3CCN(C(=O)OC4CCCC4)CC3)nc(N3CCOCC3)n2)c(N)n1
InChIInChI=1S/C23H32N8O4.C22H22N8O.C21H20N6O3S.C20H17F3N8O.C18H20N8O2/c24-20-17(14-26-21(25)29-20)18-13-19(28-22(27-18)30-9-11-33-12-10-30)34-16-5-7-31(8-6-16)23(32)35-15-3-1-2-4-15;1-14-17(13-25-21(23)26-14)19-11-20(29-22(28-19)30-6-8-31-9-7-30)27-16-10-15-4-2-3-5-18(15)24-12-16;1-31(28,29)16-4-2-3-14(9-16)18-11-19(17-13-24-20(23)10-15(17)12-22)26-21(25-18)27-5-7-30-8-6-27;21-20(22,23)14-11-26-2-1-15(14)28-18-8-16(13-10-27-17(25)7-12(13)9-24)29-19(30-18)31-3-5-32-6-4-31;1-27-16-3-2-13(11-20-16)23-15-8-14(12-9-21-17(19)22-10-12)24-18(25-15)26-4-6-28-7-5-26/h13-16H,1-12H2,(H4,24,25,26,29);2-5,10-13H,6-9H2,1H3,(H2,23,25,26)(H,27,28,29);2-4,9-11,13H,5-8H2,1H3,(H2,23,24);1-2,7-8,10-11H,3-6H2,(H2,25,27)(H,26,28,29,30);2-3,8-11H,4-7H2,1H3,(H2,19,21,22)(H,23,24,25)
InChIKeyUBFYSEWPKXCHFM-UHFFFAOYSA-N
XLogP11.20
TPSA654.97 Ų
H-Bond Donors9
H-Bond Acceptors48
Rotatable Bonds22
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002158.35
LogP ≤ 511.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1048

Analyze N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-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-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 161043890) is N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate is COc1ccc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cn1.CS(=O)(=O)c1cccc(-c2cc(-c3cnc(N)cc3C#N)nc(N3CCOCC3)n2)c1.Cc1nc(N)ncc1-c1cc(Nc2cnc3ccccc3c2)nc(N2CCOCC2)n1.N#Cc1cc(N)ncc1-c1cc(Nc2ccncc2C(F)(F)F)nc(N2CCOCC2)n1.Nc1ncc(-c2cc(OC3CCN(C(=O)OC4CCCC4)CC3)nc(N3CCOCC3)n2)c(N)n1.
What is the InChIKey of N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is UBFYSEWPKXCHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O4.C22H22N8O.C21H20N6O3S.C20H17F3N8O.C18H20N8O2/c24-20-17(14-26-21(25)29-20)18-13-19(28-22(27-18)30-9-11-33-12-10-30)34-16-5-7-31(8-6-16)23(32)35-15-3-1-2-4-15;1-14-17(13-25-21(23)26-14)19-11-20(29-22(28-19)30-6-8-31-9-7-30)27-16-10-15-4-2-3-5-18(15)24-12-16;1-31(28,29)16-4-2-3-14(9-16)18-11-19(17-13-24-20(23)10-15(17)12-22)26-21(25-18)27-5-7-30-8-6-27;21-20(22,23)14-11-26-2-1-15(14)28-18-8-16(13-10-27-17(25)7-12(13)9-24)29-19(30-18)31-3-5-32-6-4-31;1-27-16-3-2-13(11-20-16)23-15-8-14(12-9-21-17(19)22-10-12)24-18(25-15)26-4-6-28-7-5-26/h13-16H,1-12H2,(H4,24,25,26,29);2-5,10-13H,6-9H2,1H3,(H2,23,25,26)(H,27,28,29);2-4,9-11,13H,5-8H2,1H3,(H2,23,24);1-2,7-8,10-11H,3-6H2,(H2,25,27)(H,26,28,29,30);2-3,8-11H,4-7H2,1H3,(H2,19,21,22)(H,23,24,25).
What are the key properties of N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 2158.35 g/mol, XLogP of 11.20, 22 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;2-amino-5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridine-4-carbonitrile;2-amino-5-[2-morpholin-4-yl-6-[[3-(trifluoromethyl)-4-pyridinyl]amino]pyrimidin-4-yl]pyridine-4-carbonitrile;6-(2-aminopyrimidin-5-yl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;cyclopentyl 4-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 161043890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).