6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C107H86BrN27O5S — CID 161040015

IUPAC6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESBrc1cc2cnc(Nc3cccc(-c4cncnc4)c3)nc2cc1OCc1cccnc1.C#Cc1cc2cnc(Nc3cccc(-c4cncnc4)c3)nc2cc1OCc1cccnc1.CNC(=O)c1cccc(COc2cc3nc(Nc4cccc(-c5ccn(C)n5)c4)ncc3cc2-c2cn[nH]c2)c1.Cc1ncc(-c2cccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)c2)cn1
InChIInChI=1S/C30H26N8O2.C27H25N7OS.C26H18N6O.C24H17BrN6O/c1-31-29(39)21-7-3-5-19(11-21)18-40-28-14-27-22(13-25(28)23-16-33-34-17-23)15-32-30(36-27)35-24-8-4-6-20(12-24)26-9-10-38(2)37-26;1-17-30-15-20(16-31-17)18-3-2-4-21(11-18)33-27-32-14-19-12-23(26-29-9-10-36-26)25(13-24(19)34-27)35-22-5-7-28-8-6-22;1-2-19-9-21-15-30-26(31-23-7-3-6-20(10-23)22-13-28-17-29-14-22)32-24(21)11-25(19)33-16-18-5-4-8-27-12-18;25-21-8-18-13-29-24(30-20-5-1-4-17(7-20)19-11-27-15-28-12-19)31-22(18)9-23(21)32-14-16-3-2-6-26-10-16/h3-17H,18H2,1-2H3,(H,31,39)(H,33,34)(H,32,35,36);2-4,9-16,22,28H,5-8H2,1H3,(H,32,33,34);1,3-15,17H,16H2,(H,30,31,32);1-13,15H,14H2,(H,29,30,31)
InChIKeyUATIXERQDIVYFX-UHFFFAOYSA-N
MW1942.02 g/mol
LogP20.85
Rot. Bonds26

About 6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine

6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 161040015) has the molecular formula C107H86BrN27O5S and a molecular weight of 1942.02 g/mol. Its IUPAC name is 6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID161040015
Molecular FormulaC107H86BrN27O5S
Molecular Weight1942.02 g/mol
Exact Mass1939.62
IUPAC Name6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESBrc1cc2cnc(Nc3cccc(-c4cncnc4)c3)nc2cc1OCc1cccnc1.C#Cc1cc2cnc(Nc3cccc(-c4cncnc4)c3)nc2cc1OCc1cccnc1.CNC(=O)c1cccc(COc2cc3nc(Nc4cccc(-c5ccn(C)n5)c4)ncc3cc2-c2cn[nH]c2)c1.Cc1ncc(-c2cccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)c2)cn1
InChIInChI=1S/C30H26N8O2.C27H25N7OS.C26H18N6O.C24H17BrN6O/c1-31-29(39)21-7-3-5-19(11-21)18-40-28-14-27-22(13-25(28)23-16-33-34-17-23)15-32-30(36-27)35-24-8-4-6-20(12-24)26-9-10-38(2)37-26;1-17-30-15-20(16-31-17)18-3-2-4-21(11-18)33-27-32-14-19-12-23(26-29-9-10-36-26)25(13-24(19)34-27)35-22-5-7-28-8-6-22;1-2-19-9-21-15-30-26(31-23-7-3-6-20(10-23)22-13-28-17-29-14-22)32-24(21)11-25(19)33-16-18-5-4-8-27-12-18;25-21-8-18-13-29-24(30-20-5-1-4-17(7-20)19-11-27-15-28-12-19)31-22(18)9-23(21)32-14-16-3-2-6-26-10-16/h3-17H,18H2,1-2H3,(H,31,39)(H,33,34)(H,32,35,36);2-4,9-16,22,28H,5-8H2,1H3,(H,32,33,34);1,3-15,17H,16H2,(H,30,31,32);1-13,15H,14H2,(H,29,30,31)
InChIKeyUATIXERQDIVYFX-UHFFFAOYSA-N
XLogP20.85
TPSA391.80 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001942.02
LogP ≤ 520.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of 6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 161040015) is 6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for 6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for 6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is Brc1cc2cnc(Nc3cccc(-c4cncnc4)c3)nc2cc1OCc1cccnc1.C#Cc1cc2cnc(Nc3cccc(-c4cncnc4)c3)nc2cc1OCc1cccnc1.CNC(=O)c1cccc(COc2cc3nc(Nc4cccc(-c5ccn(C)n5)c4)ncc3cc2-c2cn[nH]c2)c1.Cc1ncc(-c2cccc(Nc3ncc4cc(-c5nccs5)c(OC5CCNCC5)cc4n3)c2)cn1.
What is the InChIKey of 6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is UATIXERQDIVYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N8O2.C27H25N7OS.C26H18N6O.C24H17BrN6O/c1-31-29(39)21-7-3-5-19(11-21)18-40-28-14-27-22(13-25(28)23-16-33-34-17-23)15-32-30(36-27)35-24-8-4-6-20(12-24)26-9-10-38(2)37-26;1-17-30-15-20(16-31-17)18-3-2-4-21(11-18)33-27-32-14-19-12-23(26-29-9-10-36-26)25(13-24(19)34-27)35-22-5-7-28-8-6-22;1-2-19-9-21-15-30-26(31-23-7-3-6-20(10-23)22-13-28-17-29-14-22)32-24(21)11-25(19)33-16-18-5-4-8-27-12-18;25-21-8-18-13-29-24(30-20-5-1-4-17(7-20)19-11-27-15-28-12-19)31-22(18)9-23(21)32-14-16-3-2-6-26-10-16/h3-17H,18H2,1-2H3,(H,31,39)(H,33,34)(H,32,35,36);2-4,9-16,22,28H,5-8H2,1H3,(H,32,33,34);1,3-15,17H,16H2,(H,30,31,32);1-13,15H,14H2,(H,29,30,31).
What are the key properties of 6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 1942.02 g/mol, XLogP of 20.85, 26 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;6-ethynyl-7-(pyridin-3-ylmethoxy)-N-(3-pyrimidin-5-ylphenyl)quinazolin-2-amine;N-methyl-3-[[2-[3-(1-methylpyrazol-3-yl)anilino]-6-(1H-pyrazol-4-yl)quinazolin-7-yl]oxymethyl]benzamide;N-[3-(2-methylpyrimidin-5-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 161040015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).