N-[3-(3-aminophenyl)sulfonylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine

C67H60FN17O5S5 — CID 159551295

About N-[3-(3-aminophenyl)sulfonylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine

N-[3-(3-aminophenyl)sulfonylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine (PubChem CID 159551295) has the molecular formula C67H60FN17O5S5 and a molecular weight of 1362.66 g/mol. Its IUPAC name is N-[3-(3-aminophenyl)sulfonylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[3-(3-aminophenyl)sulfonylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
• PubChem CID: 159551295
• Molecular Formula: C67H60FN17O5S5
• Molecular Weight: 1362.66 g/mol
• Exact Mass: 1361.36
• IUPAC Name: N-[3-(3-aminophenyl)sulfonylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
• SMILES: COc1ccc(Nc2nccc(-c3csc(C)n3)n2)cc1F.Cc1cccc(Nc2nccc(-c3csc(C)n3)n2)c1.Cc1nc(-c2ccnc(Nc3ccc4c(c3)OCCCO4)n2)cs1.Cc1nc(-c2ccnc(Nc3cccc(S(=O)(=O)c4cccc(N)c4)c3)n2)cs1
• InChI: InChI=1S/C20H17N5O2S2.C17H16N4O2S.C15H13FN4OS.C15H14N4S/c1-13-23-19(12-28-13)18-8-9-22-20(25-18)24-15-5-3-7-17(11-15)29(26,27)16-6-2-4-14(21)10-16;1-11-19-14(10-24-11)13-5-6-18-17(21-13)20-12-3-4-15-16(9-12)23-8-2-7-22-15;1-9-18-13(8-22-9)12-5-6-17-15(20-12)19-10-3-4-14(21-2)11(16)7-10;1-10-4-3-5-12(8-10)18-15-16-7-6-13(19-15)14-9-20-11(2)17-14/h2-12H,21H2,1H3,(H,22,24,25);3-6,9-10H,2,7-8H2,1H3,(H,18,20,21);3-8H,1-2H3,(H,17,19,20);3-9H,1-2H3,(H,16,18,19)
• InChIKey: MFKQPXAHCBDPSC-UHFFFAOYSA-N
• XLogP: 15.64
• TPSA: 290.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1362.66
LogP ≤ 5	15.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminophenyl)sulfonylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine?

The IUPAC name of N-[3-(3-aminophenyl)sulfonylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine (CID 159551295) is N-[3-(3-aminophenyl)sulfonylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine.

What is the SMILES notation for N-[3-(3-aminophenyl)sulfonylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine?

The canonical SMILES for N-[3-(3-aminophenyl)sulfonylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine is COc1ccc(Nc2nccc(-c3csc(C)n3)n2)cc1F.Cc1cccc(Nc2nccc(-c3csc(C)n3)n2)c1.Cc1nc(-c2ccnc(Nc3ccc4c(c3)OCCCO4)n2)cs1.Cc1nc(-c2ccnc(Nc3cccc(S(=O)(=O)c4cccc(N)c4)c3)n2)cs1.

What is the InChIKey of N-[3-(3-aminophenyl)sulfonylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine?

The InChIKey is MFKQPXAHCBDPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S2.C17H16N4O2S.C15H13FN4OS.C15H14N4S/c1-13-23-19(12-28-13)18-8-9-22-20(25-18)24-15-5-3-7-17(11-15)29(26,27)16-6-2-4-14(21)10-16;1-11-19-14(10-24-11)13-5-6-18-17(21-13)20-12-3-4-15-16(9-12)23-8-2-7-22-15;1-9-18-13(8-22-9)12-5-6-17-15(20-12)19-10-3-4-14(21-2)11(16)7-10;1-10-4-3-5-12(8-10)18-15-16-7-6-13(19-15)14-9-20-11(2)17-14/h2-12H,21H2,1H3,(H,22,24,25);3-6,9-10H,2,7-8H2,1H3,(H,18,20,21);3-8H,1-2H3,(H,17,19,20);3-9H,1-2H3,(H,16,18,19).

What are the key properties of N-[3-(3-aminophenyl)sulfonylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine?

N-[3-(3-aminophenyl)sulfonylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine has a molecular weight of 1362.66 g/mol, XLogP of 15.64, 15 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-aminophenyl)sulfonylphenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-fluoro-4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine;N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 159551295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).