2-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine

C133H102F6N26O3S — CID 159821669

About 2-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine

2-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine (PubChem CID 159821669) has the molecular formula C133H102F6N26O3S and a molecular weight of 2258.51 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine.

Molecular Properties

• Compound Name: 2-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine
• PubChem CID: 159821669
• Molecular Formula: C133H102F6N26O3S
• Molecular Weight: 2258.51 g/mol
• Exact Mass: 2256.83
• IUPAC Name: 2-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine
• SMILES: COc1ccc(CNc2ccc3nc(-c4ccccc4F)nc(Nc4ccncc4)c3c2)cc1.COc1ccc(Nc2nc(-c3ccccc3F)nc3ccccc23)cc1.COc1cccc(Nc2nc(-c3ccccc3F)nc3ccccc23)c1.CSc1ccc(CNc2ccc3nc(-c4ccccc4F)nc(Nc4ccncc4)c3c2)cc1.Fc1ccccc1-c1nc(Nc2ccncn2)c2ccccc2n1.Nc1ccc2c(Nc3ccncc3)nc(-c3ccccc3F)nc2c1
• InChI: InChI=1S/C27H22FN5O.C27H22FN5S.2C21H16FN3O.C19H14FN5.C18H12FN5/c2*1-34-21-9-6-18(7-10-21)17-30-20-8-11-25-23(16-20)27(31-19-12-14-29-15-13-19)33-26(32-25)22-4-2-3-5-24(22)28;1-26-15-8-6-7-14(13-15)23-21-17-10-3-5-12-19(17)24-20(25-21)16-9-2-4-11-18(16)22;1-26-15-12-10-14(11-13-15)23-21-17-7-3-5-9-19(17)24-20(25-21)16-6-2-4-8-18(16)22;20-16-4-2-1-3-14(16)18-24-17-11-12(21)5-6-15(17)19(25-18)23-13-7-9-22-10-8-13;19-14-7-3-1-5-12(14)17-22-15-8-4-2-6-13(15)18(24-17)23-16-9-10-20-11-21-16/h2*2-16,30H,17H2,1H3,(H,29,31,32,33);2*2-13H,1H3,(H,23,24,25);1-11H,21H2,(H,22,23,24,25);1-11H,(H,20,21,22,23,24)
• InChIKey: NMHWMYOJPZOGQW-UHFFFAOYSA-N
• XLogP: 31.61
• TPSA: 369.08 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2258.51
LogP ≤ 5	31.61
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine?

The IUPAC name of 2-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine (CID 159821669) is 2-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine.

What is the SMILES notation for 2-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine?

The canonical SMILES for 2-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine is COc1ccc(CNc2ccc3nc(-c4ccccc4F)nc(Nc4ccncc4)c3c2)cc1.COc1ccc(Nc2nc(-c3ccccc3F)nc3ccccc23)cc1.COc1cccc(Nc2nc(-c3ccccc3F)nc3ccccc23)c1.CSc1ccc(CNc2ccc3nc(-c4ccccc4F)nc(Nc4ccncc4)c3c2)cc1.Fc1ccccc1-c1nc(Nc2ccncn2)c2ccccc2n1.Nc1ccc2c(Nc3ccncc3)nc(-c3ccccc3F)nc2c1.

What is the InChIKey of 2-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine?

The InChIKey is NMHWMYOJPZOGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O.C27H22FN5S.2C21H16FN3O.C19H14FN5.C18H12FN5/c2*1-34-21-9-6-18(7-10-21)17-30-20-8-11-25-23(16-20)27(31-19-12-14-29-15-13-19)33-26(32-25)22-4-2-3-5-24(22)28;1-26-15-8-6-7-14(13-15)23-21-17-10-3-5-12-19(17)24-20(25-21)16-9-2-4-11-18(16)22;1-26-15-12-10-14(11-13-15)23-21-17-7-3-5-9-19(17)24-20(25-21)16-6-2-4-8-18(16)22;20-16-4-2-1-3-14(16)18-24-17-11-12(21)5-6-15(17)19(25-18)23-13-7-9-22-10-8-13;19-14-7-3-1-5-12(14)17-22-15-8-4-2-6-13(15)18(24-17)23-16-9-10-20-11-21-16/h2*2-16,30H,17H2,1H3,(H,29,31,32,33);2*2-13H,1H3,(H,23,24,25);1-11H,21H2,(H,22,23,24,25);1-11H,(H,20,21,22,23,24).

What are the key properties of 2-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine?

2-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine has a molecular weight of 2258.51 g/mol, XLogP of 31.61, 28 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-N-(4-methoxyphenyl)quinazolin-4-amine;2-(2-fluorophenyl)-6-N-[(4-methylsulfanylphenyl)methyl]-4-N-pyridin-4-ylquinazoline-4,6-diamine;2-(2-fluorophenyl)-4-N-pyridin-4-ylquinazoline-4,7-diamine;2-(2-fluorophenyl)-N-pyrimidin-4-ylquinazolin-4-amine is sourced from PubChem (CID 159821669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).