5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine

C75H73BBrF3N14O5 — CID 163589618

IUPAC5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine
SMILESC1COCCN1.Cc1ccnc2ccc(-c3cnc(N)nc3-c3ccc(F)cc3)cc12.Cc1ccnc2ccc(-c3cnc(NC(=O)N4CCOCC4)nc3-c3ccc(F)cc3)cc12.Cc1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.Nc1ncc(Br)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H22FN5O2.C20H15FN4.C16H20BNO2.C10H7BrFN3.C4H9NO/c1-16-8-9-27-22-7-4-18(14-20(16)22)21-15-28-24(30-25(32)31-10-12-33-13-11-31)29-23(21)17-2-5-19(26)6-3-17;1-12-8-9-23-18-7-4-14(10-16(12)18)17-11-24-20(22)25-19(17)13-2-5-15(21)6-3-13;1-11-8-9-18-14-7-6-12(10-13(11)14)17-19-15(2,3)16(4,5)20-17;11-8-5-14-10(13)15-9(8)6-1-3-7(12)4-2-6;1-3-6-4-2-5-1/h2-9,14-15H,10-13H2,1H3,(H,28,29,30,32);2-11H,1H3,(H2,22,24,25);6-10H,1-5H3;1-5H,(H2,13,14,15);5H,1-4H2
InChIKeyGOLCGWXPRWSHBH-UHFFFAOYSA-N
MW1398.21 g/mol
LogP14.13
Rot. Bonds7

About 5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine

5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine (PubChem CID 163589618) has the molecular formula C75H73BBrF3N14O5 and a molecular weight of 1398.21 g/mol. Its IUPAC name is 5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine.

Molecular Properties

Compound Name5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine
PubChem CID163589618
Molecular FormulaC75H73BBrF3N14O5
Molecular Weight1398.21 g/mol
Exact Mass1396.51
IUPAC Name5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine
SMILESC1COCCN1.Cc1ccnc2ccc(-c3cnc(N)nc3-c3ccc(F)cc3)cc12.Cc1ccnc2ccc(-c3cnc(NC(=O)N4CCOCC4)nc3-c3ccc(F)cc3)cc12.Cc1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.Nc1ncc(Br)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C25H22FN5O2.C20H15FN4.C16H20BNO2.C10H7BrFN3.C4H9NO/c1-16-8-9-27-22-7-4-18(14-20(16)22)21-15-28-24(30-25(32)31-10-12-33-13-11-31)29-23(21)17-2-5-19(26)6-3-17;1-12-8-9-23-18-7-4-14(10-16(12)18)17-11-24-20(22)25-19(17)13-2-5-15(21)6-3-13;1-11-8-9-18-14-7-6-12(10-13(11)14)17-19-15(2,3)16(4,5)20-17;11-8-5-14-10(13)15-9(8)6-1-3-7(12)4-2-6;1-3-6-4-2-5-1/h2-9,14-15H,10-13H2,1H3,(H,28,29,30,32);2-11H,1H3,(H2,22,24,25);6-10H,1-5H3;1-5H,(H2,13,14,15);5H,1-4H2
InChIKeyGOLCGWXPRWSHBH-UHFFFAOYSA-N
XLogP14.13
TPSA249.34 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001398.21
LogP ≤ 514.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[6-[2-[3-[4-[(5-Bromo-2-morpholin-4-yl-4-pyridinyl)amino]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-6-yl]-2-methylpropyl]morpholin-4-yl]-4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-3-pyridinyl]phenyl]urea
CID 123600848
6-[3-[4-[5-(5-amino-3-pyridinyl)-4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-pyridinyl]morpholin-2-yl]propyl]-N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 123671592
4-[[6-[2-[4-Fluoro-3-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-(4-morpholin-4-ylanilino)quinazolin-8-yl]methyl]phenyl]-3-pyridinyl]quinazolin-4-yl]amino]benzonitrile
CID 139495123
[4-[6-[2-[(1S)-2-[[4-[(5-bromo-2-morpholin-4-yl-4-pyridinyl)amino]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-6-yl]methyl]cyclopropyl]morpholin-4-yl]-4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-3-pyridinyl]phenyl]urea
CID 144307088
(2S,6R)-N-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 153626040
N-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide
CID 153626042
N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide
CID 153626086
(2R)-N-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide
CID 153626092
(2S)-N-[4-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyrimidin-2-yl]-2-methylmorpholine-4-carboxamide
CID 153626102
3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-bromopyrimidin-2-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-7-fluoroquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-7-fluoroquinolin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;methane;morpholine;pentane
CID 159695701
6-(2-aminopyrimidin-5-yl)-N-cyclohexyl-N-methyl-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-(cyclohexylmethyl)-2-morpholin-4-ylpyrimidin-4-amine;6-(2-aminopyrimidin-5-yl)-N-cyclohexyl-2-morpholin-4-ylpyrimidin-4-amine;N-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-8-(trifluoromethyl)quinolin-4-amine;5-[6-(2-benzylpyrrolidin-1-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 161671165
3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-bromopyrimidin-2-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-7-fluoroquinolin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-7-fluoroquinolin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;morpholine
CID 161709495

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine?
The IUPAC name of 5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine (CID 163589618) is 5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine.
What is the SMILES notation for 5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine?
The canonical SMILES for 5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine is C1COCCN1.Cc1ccnc2ccc(-c3cnc(N)nc3-c3ccc(F)cc3)cc12.Cc1ccnc2ccc(-c3cnc(NC(=O)N4CCOCC4)nc3-c3ccc(F)cc3)cc12.Cc1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.Nc1ncc(Br)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine?
The InChIKey is GOLCGWXPRWSHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2.C20H15FN4.C16H20BNO2.C10H7BrFN3.C4H9NO/c1-16-8-9-27-22-7-4-18(14-20(16)22)21-15-28-24(30-25(32)31-10-12-33-13-11-31)29-23(21)17-2-5-19(26)6-3-17;1-12-8-9-23-18-7-4-14(10-16(12)18)17-11-24-20(22)25-19(17)13-2-5-15(21)6-3-13;1-11-8-9-18-14-7-6-12(10-13(11)14)17-19-15(2,3)16(4,5)20-17;11-8-5-14-10(13)15-9(8)6-1-3-7(12)4-2-6;1-3-6-4-2-5-1/h2-9,14-15H,10-13H2,1H3,(H,28,29,30,32);2-11H,1H3,(H2,22,24,25);6-10H,1-5H3;1-5H,(H2,13,14,15);5H,1-4H2.
What are the key properties of 5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine?
5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine has a molecular weight of 1398.21 g/mol, XLogP of 14.13, 7 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-fluorophenyl)pyrimidin-2-amine;4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-amine;N-[4-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)pyrimidin-2-yl]morpholine-4-carboxamide;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;morpholine is sourced from PubChem (CID 163589618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).