6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C98H107F3N38O10 — CID 159931529

IUPAC6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCOc1ccc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cc1.Nc1ncc(-c2cc(Nc3ccc4ncccc4c3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(Nc3ccncc3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(Nc3ccncc3C(F)(F)F)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(OC3CCN(C(=O)OC4CCCC4)CC3)nc(N3CCOCC3)n2)c(=O)[nH]1
InChIInChI=1S/C23H31N7O5.C21H20N8O.C19H21N7O2.C18H17F3N8O.C17H18N8O/c24-21-25-14-17(20(31)28-21)18-13-19(27-22(26-18)29-9-11-33-12-10-29)34-16-5-7-30(8-6-16)23(32)35-15-3-1-2-4-15;22-20-24-12-15(13-25-20)18-11-19(28-21(27-18)29-6-8-30-9-7-29)26-16-3-4-17-14(10-16)2-1-5-23-17;1-27-15-4-2-14(3-5-15)23-17-10-16(13-11-21-18(20)22-12-13)24-19(25-17)26-6-8-28-9-7-26;19-18(20,21)12-10-23-2-1-13(12)26-15-7-14(11-8-24-16(22)25-9-11)27-17(28-15)29-3-5-30-6-4-29;18-16-20-10-12(11-21-16)14-9-15(22-13-1-3-19-4-2-13)24-17(23-14)25-5-7-26-8-6-25/h13-16H,1-12H2,(H3,24,25,28,31);1-5,10-13H,6-9H2,(H2,22,24,25)(H,26,27,28);2-5,10-12H,6-9H2,1H3,(H2,20,21,22)(H,23,24,25);1-2,7-10H,3-6H2,(H2,22,24,25)(H,23,26,27,28);1-4,9-11H,5-8H2,(H2,18,20,21)(H,19,22,23,24)
InChIKeyNZRXJGAQKROOBC-UHFFFAOYSA-N
MW2034.18 g/mol
LogP10.32
Rot. Bonds22

About 6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate

6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 159931529) has the molecular formula C98H107F3N38O10 and a molecular weight of 2034.18 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID159931529
Molecular FormulaC98H107F3N38O10
Molecular Weight2034.18 g/mol
Exact Mass2032.90
IUPAC Name6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCOc1ccc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cc1.Nc1ncc(-c2cc(Nc3ccc4ncccc4c3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(Nc3ccncc3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(Nc3ccncc3C(F)(F)F)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(OC3CCN(C(=O)OC4CCCC4)CC3)nc(N3CCOCC3)n2)c(=O)[nH]1
InChIInChI=1S/C23H31N7O5.C21H20N8O.C19H21N7O2.C18H17F3N8O.C17H18N8O/c24-21-25-14-17(20(31)28-21)18-13-19(27-22(26-18)29-9-11-33-12-10-29)34-16-5-7-30(8-6-16)23(32)35-15-3-1-2-4-15;22-20-24-12-15(13-25-20)18-11-19(28-21(27-18)29-6-8-30-9-7-29)26-16-3-4-17-14(10-16)2-1-5-23-17;1-27-15-4-2-14(3-5-15)23-17-10-16(13-11-21-18(20)22-12-13)24-19(25-17)26-6-8-28-9-7-26;19-18(20,21)12-10-23-2-1-13(12)26-15-7-14(11-8-24-16(22)25-9-11)27-17(28-15)29-3-5-30-6-4-29;18-16-20-10-12(11-21-16)14-9-15(22-13-1-3-19-4-2-13)24-17(23-14)25-5-7-26-8-6-25/h13-16H,1-12H2,(H3,24,25,28,31);1-5,10-13H,6-9H2,(H2,22,24,25)(H,26,27,28);2-5,10-12H,6-9H2,1H3,(H2,20,21,22)(H,23,24,25);1-2,7-10H,3-6H2,(H2,22,24,25)(H,23,26,27,28);1-4,9-11H,5-8H2,(H2,18,20,21)(H,19,22,23,24)
InChIKeyNZRXJGAQKROOBC-UHFFFAOYSA-N
XLogP10.32
TPSA605.01 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds22
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002034.18
LogP ≤ 510.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Analyze 6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 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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Related Compounds

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[6-[[1-[[4-(4-Morpholinyl)-3-(trifluoromethyl)phenylamino]carbonyl]-1H-indol-5-yl]oxy]-4-pyrimidinyl]acetamide
CID 67531453
5-[6-(3-carbamoylpyridin-2-yl)pyrimidin-4-yl]oxy-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 67531822
N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-5-[6-(pyridine-3-carbonylamino)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 67531824
5-[6-(1-amino-2-methyl-1-oxopropan-2-yl)pyrimidin-4-yl]oxy-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 67532729
Ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
CID 67873187
[(2S)-1-prop-2-enoylpyrrolidin-2-yl] N-[7-fluoro-4-[3-methyl-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]carbamate
CID 89731027
N-[6-[3-ethyl-4-[[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]pyridine-3-carboxamide
CID 143206973
6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide
CID 145059697
N-[3-fluoro-4-[[7-(2-morpholin-4-ylethylamino)-1,6-naphthyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 155276643
1-[(3R)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[(3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;benzyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;methyl (3S)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 158048024
(E)-4,4-difluoro-8-morpholin-4-yl-N-[4-[(2-phenylmethoxy-1H-indol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]oct-2-enamide;methane;(E)-8-morpholin-4-yl-4-oxo-N-[4-[(2-phenylmethoxy-1H-indol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]oct-2-enamide;3-morpholin-4-ylpropyl (E)-4-oxo-4-[[4-[(2-phenylmethoxy-1H-indol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]amino]but-2-enoate
CID 159372656

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 159931529) is 6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 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 6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate is COc1ccc(Nc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cc1.Nc1ncc(-c2cc(Nc3ccc4ncccc4c3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(Nc3ccncc3)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(Nc3ccncc3C(F)(F)F)nc(N3CCOCC3)n2)cn1.Nc1ncc(-c2cc(OC3CCN(C(=O)OC4CCCC4)CC3)nc(N3CCOCC3)n2)c(=O)[nH]1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is NZRXJGAQKROOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O5.C21H20N8O.C19H21N7O2.C18H17F3N8O.C17H18N8O/c24-21-25-14-17(20(31)28-21)18-13-19(27-22(26-18)29-9-11-33-12-10-29)34-16-5-7-30(8-6-16)23(32)35-15-3-1-2-4-15;22-20-24-12-15(13-25-20)18-11-19(28-21(27-18)29-6-8-30-9-7-29)26-16-3-4-17-14(10-16)2-1-5-23-17;1-27-15-4-2-14(3-5-15)23-17-10-16(13-11-21-18(20)22-12-13)24-19(25-17)26-6-8-28-9-7-26;19-18(20,21)12-10-23-2-1-13(12)26-15-7-14(11-8-24-16(22)25-9-11)27-17(28-15)29-3-5-30-6-4-29;18-16-20-10-12(11-21-16)14-9-15(22-13-1-3-19-4-2-13)24-17(23-14)25-5-7-26-8-6-25/h13-16H,1-12H2,(H3,24,25,28,31);1-5,10-13H,6-9H2,(H2,22,24,25)(H,26,27,28);2-5,10-12H,6-9H2,1H3,(H2,20,21,22)(H,23,24,25);1-2,7-10H,3-6H2,(H2,22,24,25)(H,23,26,27,28);1-4,9-11H,5-8H2,(H2,18,20,21)(H,19,22,23,24).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 2034.18 g/mol, XLogP of 10.32, 22 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-6-amine;6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;cyclopentyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 159931529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).