8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-4-methylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylbut-3-enyl]-2-N-(4-fluoro-3-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine

C148H183F3N30S — CID 158009103

About 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-4-methylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylbut-3-enyl]-2-N-(4-fluoro-3-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine

8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-4-methylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylbut-3-enyl]-2-N-(4-fluoro-3-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine (PubChem CID 158009103) has the molecular formula C148H183F3N30S and a molecular weight of 2471.36 g/mol. Its IUPAC name is 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-4-methylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylbut-3-enyl]-2-N-(4-fluoro-3-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine.

Molecular Properties

• Compound Name: 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-4-methylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylbut-3-enyl]-2-N-(4-fluoro-3-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
• PubChem CID: 158009103
• Molecular Formula: C148H183F3N30S
• Molecular Weight: 2471.36 g/mol
• Exact Mass: 2469.49
• IUPAC Name: 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-4-methylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylbut-3-enyl]-2-N-(4-fluoro-3-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
• SMILES: C=CC[C@@H](Nc1nc(Nc2ccc(F)c(C)c2)nc2c(C3=CCNCC3)cccc12)C1CC1.CC[C@@H](Nc1nc(Nc2cc(C)cc(C)c2)nc2c(CCN)cccc12)C1CC1.C[C@@H](Nc1nc(NCC2CCCCC2)nc2c(C3=CCNCC3)cccc12)c1cccs1.Cc1cc(F)cc(Nc2nc(N[C@H](C)C3CC3)c3cccc(C4=CCNCC4)c3n2)c1.Cc1ccc(Nc2nc(N[C@H](C)C3CC3)c3cccc(CCN)c3n2)cc1F.NCCc1cccc2c(NC(C3CC3)C3CC3)nc(NCC3CCCCC3)nc12
• InChI: InChI=1S/C27H30FN5.C26H33N5S.C25H28FN5.C24H35N5.C24H31N5.C22H26FN5/c1-3-5-24(19-8-9-19)31-26-22-7-4-6-21(18-12-14-29-15-13-18)25(22)32-27(33-26)30-20-10-11-23(28)17(2)16-20;1-18(23-11-6-16-32-23)29-25-22-10-5-9-21(20-12-14-27-15-13-20)24(22)30-26(31-25)28-17-19-7-3-2-4-8-19;1-15-12-19(26)14-20(13-15)29-25-30-23-21(18-8-10-27-11-9-18)4-3-5-22(23)24(31-25)28-16(2)17-6-7-17;25-14-13-17-7-4-8-20-22(17)28-24(26-15-16-5-2-1-3-6-16)29-23(20)27-21(18-9-10-18)19-11-12-19;1-4-21(17-8-9-17)27-23-20-7-5-6-18(10-11-25)22(20)28-24(29-23)26-19-13-15(2)12-16(3)14-19;1-13-6-9-17(12-19(13)23)26-22-27-20-16(10-11-24)4-3-5-18(20)21(28-22)25-14(2)15-7-8-15/h3-4,6-7,10-12,16,19,24,29H,1,5,8-9,13-15H2,2H3,(H2,30,31,32,33);5-6,9-12,16,18-19,27H,2-4,7-8,13-15,17H2,1H3,(H2,28,29,30,31);3-5,8,12-14,16-17,27H,6-7,9-11H2,1-2H3,(H2,28,29,30,31);4,7-8,16,18-19,21H,1-3,5-6,9-15,25H2,(H2,26,27,28,29);5-7,12-14,17,21H,4,8-11,25H2,1-3H3,(H2,26,27,28,29);3-6,9,12,14-15H,7-8,10-11,24H2,1-2H3,(H2,25,26,27,28)/t24-;18-;16-;;21-;14-/m111.11/s1
• InChIKey: FEQWCDBHYDBLSA-MSRFPZQKSA-N
• XLogP: 31.95
• TPSA: 413.19 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 31
• Rotatable Bonds: 45
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2471.36
LogP ≤ 5	31.95
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-4-methylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylbut-3-enyl]-2-N-(4-fluoro-3-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine?

The IUPAC name of 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-4-methylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylbut-3-enyl]-2-N-(4-fluoro-3-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine (CID 158009103) is 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-4-methylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylbut-3-enyl]-2-N-(4-fluoro-3-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine.

What is the SMILES notation for 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-4-methylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylbut-3-enyl]-2-N-(4-fluoro-3-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine?

The canonical SMILES for 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-4-methylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylbut-3-enyl]-2-N-(4-fluoro-3-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine is C=CC[C@@H](Nc1nc(Nc2ccc(F)c(C)c2)nc2c(C3=CCNCC3)cccc12)C1CC1.CC[C@@H](Nc1nc(Nc2cc(C)cc(C)c2)nc2c(CCN)cccc12)C1CC1.C[C@@H](Nc1nc(NCC2CCCCC2)nc2c(C3=CCNCC3)cccc12)c1cccs1.Cc1cc(F)cc(Nc2nc(N[C@H](C)C3CC3)c3cccc(C4=CCNCC4)c3n2)c1.Cc1ccc(Nc2nc(N[C@H](C)C3CC3)c3cccc(CCN)c3n2)cc1F.NCCc1cccc2c(NC(C3CC3)C3CC3)nc(NCC3CCCCC3)nc12.

What is the InChIKey of 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-4-methylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylbut-3-enyl]-2-N-(4-fluoro-3-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine?

The InChIKey is FEQWCDBHYDBLSA-MSRFPZQKSA-N. The full InChI is InChI=1S/C27H30FN5.C26H33N5S.C25H28FN5.C24H35N5.C24H31N5.C22H26FN5/c1-3-5-24(19-8-9-19)31-26-22-7-4-6-21(18-12-14-29-15-13-18)25(22)32-27(33-26)30-20-10-11-23(28)17(2)16-20;1-18(23-11-6-16-32-23)29-25-22-10-5-9-21(20-12-14-27-15-13-20)24(22)30-26(31-25)28-17-19-7-3-2-4-8-19;1-15-12-19(26)14-20(13-15)29-25-30-23-21(18-8-10-27-11-9-18)4-3-5-22(23)24(31-25)28-16(2)17-6-7-17;25-14-13-17-7-4-8-20-22(17)28-24(26-15-16-5-2-1-3-6-16)29-23(20)27-21(18-9-10-18)19-11-12-19;1-4-21(17-8-9-17)27-23-20-7-5-6-18(10-11-25)22(20)28-24(29-23)26-19-13-15(2)12-16(3)14-19;1-13-6-9-17(12-19(13)23)26-22-27-20-16(10-11-24)4-3-5-18(20)21(28-22)25-14(2)15-7-8-15/h3-4,6-7,10-12,16,19,24,29H,1,5,8-9,13-15H2,2H3,(H2,30,31,32,33);5-6,9-12,16,18-19,27H,2-4,7-8,13-15,17H2,1H3,(H2,28,29,30,31);3-5,8,12-14,16-17,27H,6-7,9-11H2,1-2H3,(H2,28,29,30,31);4,7-8,16,18-19,21H,1-3,5-6,9-15,25H2,(H2,26,27,28,29);5-7,12-14,17,21H,4,8-11,25H2,1-3H3,(H2,26,27,28,29);3-6,9,12,14-15H,7-8,10-11,24H2,1-2H3,(H2,25,26,27,28)/t24-;18-;16-;;21-;14-/m111.11/s1.

What are the key properties of 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-4-methylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylbut-3-enyl]-2-N-(4-fluoro-3-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine?

8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-4-methylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylbut-3-enyl]-2-N-(4-fluoro-3-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine has a molecular weight of 2471.36 g/mol, XLogP of 31.95, 45 rotatable bonds, 18 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-4-methylphenyl)quinazoline-2,4-diamine;8-(2-aminoethyl)-4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-dimethylphenyl)quinazoline-2,4-diamine;2-N-(cyclohexylmethyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-4-N-[(1R)-1-thiophen-2-ylethyl]quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylbut-3-enyl]-2-N-(4-fluoro-3-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine;4-N-[(1R)-1-cyclopropylethyl]-2-N-(3-fluoro-5-methylphenyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 158009103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).