7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine

C86H101BBrCl3N26O7 — CID 160990431

About 7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine

7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine (PubChem CID 160990431) has the molecular formula C86H101BBrCl3N26O7 and a molecular weight of 1808.00 g/mol. Its IUPAC name is 7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine.

Molecular Properties

• Compound Name: 7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine
• PubChem CID: 160990431
• Molecular Formula: C86H101BBrCl3N26O7
• Molecular Weight: 1808.00 g/mol
• Exact Mass: 1804.67
• IUPAC Name: 7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine
• SMILES: C1COC2(CC2)CN1.CC1(C)OB(c2ccc3nc(N)ncc3c2)OC1(C)C.CCCOCC.CCCOCC.C[C@H]1COCCN1c1nc(N2CCOC3(CC3)C2)nc2nc(-c3ccc4nc(N)ncc4c3)ccc12.Nc1nc(Cl)nc2nc(Cl)ccc12.Nc1ncc2cc(-c3ccc4c(N)nc(Cl)nc4n3)ccc2n1.Nc1ncc2cc(Br)ccc2n1
• InChI: InChI=1S/C26H28N8O2.C15H10ClN7.C14H18BN3O2.C8H6BrN3.C7H4Cl2N4.C6H11NO.2C5H12O/c1-16-14-35-10-9-34(16)23-19-3-5-20(17-2-4-21-18(12-17)13-28-24(27)30-21)29-22(19)31-25(32-23)33-8-11-36-26(15-33)6-7-26;16-14-22-12(17)9-2-4-10(20-13(9)23-14)7-1-3-11-8(5-7)6-19-15(18)21-11;1-13(2)14(3,4)20-15(19-13)10-5-6-11-9(7-10)8-17-12(16)18-11;9-6-1-2-7-5(3-6)4-11-8(10)12-7;8-4-2-1-3-5(10)12-7(9)13-6(3)11-4;1-2-6(1)5-7-3-4-8-6;2*1-3-5-6-4-2/h2-5,12-13,16H,6-11,14-15H2,1H3,(H2,27,28,30);1-6H,(H2,18,19,21)(H2,17,20,22,23);5-8H,1-4H3,(H2,16,17,18);1-4H,(H2,10,11,12);1-2H,(H2,10,11,12,13);7H,1-5H2;2*3-5H2,1-2H3/t16-;;;;;;;/m0......./s1
• InChIKey: TUNYKKWHOJMKJE-QXJZUHDWSA-N
• XLogP: 13.67
• TPSA: 458.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 11
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1808.00
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine?

The IUPAC name of 7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine (CID 160990431) is 7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine.

What is the SMILES notation for 7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine?

The canonical SMILES for 7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine is C1COC2(CC2)CN1.CC1(C)OB(c2ccc3nc(N)ncc3c2)OC1(C)C.CCCOCC.CCCOCC.C[C@H]1COCCN1c1nc(N2CCOC3(CC3)C2)nc2nc(-c3ccc4nc(N)ncc4c3)ccc12.Nc1nc(Cl)nc2nc(Cl)ccc12.Nc1ncc2cc(-c3ccc4c(N)nc(Cl)nc4n3)ccc2n1.Nc1ncc2cc(Br)ccc2n1.

What is the InChIKey of 7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine?

The InChIKey is TUNYKKWHOJMKJE-QXJZUHDWSA-N. The full InChI is InChI=1S/C26H28N8O2.C15H10ClN7.C14H18BN3O2.C8H6BrN3.C7H4Cl2N4.C6H11NO.2C5H12O/c1-16-14-35-10-9-34(16)23-19-3-5-20(17-2-4-21-18(12-17)13-28-24(27)30-21)29-22(19)31-25(32-23)33-8-11-36-26(15-33)6-7-26;16-14-22-12(17)9-2-4-10(20-13(9)23-14)7-1-3-11-8(5-7)6-19-15(18)21-11;1-13(2)14(3,4)20-15(19-13)10-5-6-11-9(7-10)8-17-12(16)18-11;9-6-1-2-7-5(3-6)4-11-8(10)12-7;8-4-2-1-3-5(10)12-7(9)13-6(3)11-4;1-2-6(1)5-7-3-4-8-6;2*1-3-5-6-4-2/h2-5,12-13,16H,6-11,14-15H2,1H3,(H2,27,28,30);1-6H,(H2,18,19,21)(H2,17,20,22,23);5-8H,1-4H3,(H2,16,17,18);1-4H,(H2,10,11,12);1-2H,(H2,10,11,12,13);7H,1-5H2;2*3-5H2,1-2H3/t16-;;;;;;;/m0......./s1.

What are the key properties of 7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine?

7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine has a molecular weight of 1808.00 g/mol, XLogP of 13.67, 11 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine is sourced from PubChem (CID 160990431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).