4-chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

C105H124BClF3N29O15 — CID 158265544

About 4-chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

4-chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (PubChem CID 158265544) has the molecular formula C105H124BClF3N29O15 and a molecular weight of 2135.59 g/mol. Its IUPAC name is 4-chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.

Molecular Properties

• Compound Name: 4-chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• PubChem CID: 158265544
• Molecular Formula: C105H124BClF3N29O15
• Molecular Weight: 2135.59 g/mol
• Exact Mass: 2133.96
• IUPAC Name: 4-chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• SMILES: CC1(C)OB(c2cnc(N3CCCCC3)nc2)OC1(C)C.COc1cc2ncnc(Cl)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(O)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(O)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(OCc5ccc(C(F)(F)F)cc5)cn4)CC3)c2cc1OC.Oc1cnc(N2CCCCC2)nc1.Oc1cnc(N2CCCCC2)nc1
• InChI: InChI=1S/C26H25F3N6O3.2C18H20N6O3.C15H24BN3O2.C10H9ClN2O2.2C9H13N3O/c1-36-22-11-20-21(12-23(22)37-2)32-16-33-24(20)34-7-9-35(10-8-34)25-30-13-19(14-31-25)38-15-17-3-5-18(6-4-17)26(27,28)29;2*1-26-15-7-13-14(8-16(15)27-2)21-11-22-17(13)23-3-5-24(6-4-23)18-19-9-12(25)10-20-18;1-14(2)15(3,4)21-16(20-14)12-10-17-13(18-11-12)19-8-6-5-7-9-19;1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11;2*13-8-6-10-9(11-7-8)12-4-2-1-3-5-12/h3-6,11-14,16H,7-10,15H2,1-2H3;2*7-11,25H,3-6H2,1-2H3;10-11H,5-9H2,1-4H3;3-5H,1-2H3;2*6-7,13H,1-5H2
• InChIKey: GIJWEHPUKOZPGM-UHFFFAOYSA-N
• XLogP: 13.71
• TPSA: 469.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 44
• Rotatable Bonds: 21
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2135.59
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

The IUPAC name of 4-chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (CID 158265544) is 4-chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.

What is the SMILES notation for 4-chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

The canonical SMILES for 4-chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is CC1(C)OB(c2cnc(N3CCCCC3)nc2)OC1(C)C.COc1cc2ncnc(Cl)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(O)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(O)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(OCc5ccc(C(F)(F)F)cc5)cn4)CC3)c2cc1OC.Oc1cnc(N2CCCCC2)nc1.Oc1cnc(N2CCCCC2)nc1.

What is the InChIKey of 4-chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

The InChIKey is GIJWEHPUKOZPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O3.2C18H20N6O3.C15H24BN3O2.C10H9ClN2O2.2C9H13N3O/c1-36-22-11-20-21(12-23(22)37-2)32-16-33-24(20)34-7-9-35(10-8-34)25-30-13-19(14-31-25)38-15-17-3-5-18(6-4-17)26(27,28)29;2*1-26-15-7-13-14(8-16(15)27-2)21-11-22-17(13)23-3-5-24(6-4-23)18-19-9-12(25)10-20-18;1-14(2)15(3,4)21-16(20-14)12-10-17-13(18-11-12)19-8-6-5-7-9-19;1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11;2*13-8-6-10-9(11-7-8)12-4-2-1-3-5-12/h3-6,11-14,16H,7-10,15H2,1-2H3;2*7-11,25H,3-6H2,1-2H3;10-11H,5-9H2,1-4H3;3-5H,1-2H3;2*6-7,13H,1-5H2.

What are the key properties of 4-chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?

4-chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine has a molecular weight of 2135.59 g/mol, XLogP of 13.71, 21 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is sourced from PubChem (CID 158265544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).