N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C50H52BBrF2N14O4 — CID 162137705

IUPACN-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESBrc1cc(Nc2cnc3ccccc3c2)nc(N2CCOCC2)n1.CC1(C)OB(c2cnc(N)cc2F)OC1(C)C.Nc1cc(F)c(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C22H20FN7O.C17H16BrN5O.C11H16BFN2O2/c23-17-10-20(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;18-15-10-16(22-17(21-15)23-5-7-24-8-6-23)20-13-9-12-3-1-2-4-14(12)19-11-13;1-10(2)11(3,4)17-12(16-10)7-6-15-9(14)5-8(7)13/h1-4,9-13H,5-8H2,(H2,24,26)(H,27,28,29);1-4,9-11H,5-8H2,(H,20,21,22);5-6H,1-4H3,(H2,14,15)
InChIKeyZJMVZQVAZZQNOW-UHFFFAOYSA-N
MW1041.77 g/mol
LogP7.86
Rot. Bonds8

About N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 162137705) has the molecular formula C50H52BBrF2N14O4 and a molecular weight of 1041.77 g/mol. Its IUPAC name is N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID162137705
Molecular FormulaC50H52BBrF2N14O4
Molecular Weight1041.77 g/mol
Exact Mass1040.35
IUPAC NameN-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESBrc1cc(Nc2cnc3ccccc3c2)nc(N2CCOCC2)n1.CC1(C)OB(c2cnc(N)cc2F)OC1(C)C.Nc1cc(F)c(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C22H20FN7O.C17H16BrN5O.C11H16BFN2O2/c23-17-10-20(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;18-15-10-16(22-17(21-15)23-5-7-24-8-6-23)20-13-9-12-3-1-2-4-14(12)19-11-13;1-10(2)11(3,4)17-12(16-10)7-6-15-9(14)5-8(7)13/h1-4,9-13H,5-8H2,(H2,24,26)(H,27,28,29);1-4,9-11H,5-8H2,(H,20,21,22);5-6H,1-4H3,(H2,14,15)
InChIKeyZJMVZQVAZZQNOW-UHFFFAOYSA-N
XLogP7.86
TPSA222.62 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001041.77
LogP ≤ 57.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(2,4-difluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145971580
N-(6-(2-aminopyrimidin-5-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 23630332
n-(6-(6-Aminopyridin-3-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 53321409
5-[2-Morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine
CID 59507597
N-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507725
N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507892
N-[6-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 59507919
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-phenylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494046
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-N-(4-fluorophenyl)-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494066
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494067
N-[6-[2-(methylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
CID 53317513
N-(2-morpholino-6-(pyrazin-2-yl)pyrimidin-4-yl)quinolin-3-amine
CID 53320103

Frequently Asked Questions

What is the IUPAC name of N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 162137705) is N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is Brc1cc(Nc2cnc3ccccc3c2)nc(N2CCOCC2)n1.CC1(C)OB(c2cnc(N)cc2F)OC1(C)C.Nc1cc(F)c(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is ZJMVZQVAZZQNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O.C17H16BrN5O.C11H16BFN2O2/c23-17-10-20(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;18-15-10-16(22-17(21-15)23-5-7-24-8-6-23)20-13-9-12-3-1-2-4-14(12)19-11-13;1-10(2)11(3,4)17-12(16-10)7-6-15-9(14)5-8(7)13/h1-4,9-13H,5-8H2,(H2,24,26)(H,27,28,29);1-4,9-11H,5-8H2,(H,20,21,22);5-6H,1-4H3,(H2,14,15).
What are the key properties of N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1041.77 g/mol, XLogP of 7.86, 8 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;N-(6-bromo-2-morpholin-4-ylpyrimidin-4-yl)quinolin-3-amine;4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 162137705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).