2-[difluoro-[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]sulfanylpyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidine-4,6-diamine;2-N-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]-2-N-methylpyrimidine-2,4,6-triamine

C70H94F2N16O16S4 — CID 161039348

About 2-[difluoro-[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]sulfanylpyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidine-4,6-diamine;2-N-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]-2-N-methylpyrimidine-2,4,6-triamine

2-[difluoro-[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]sulfanylpyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidine-4,6-diamine;2-N-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]-2-N-methylpyrimidine-2,4,6-triamine (PubChem CID 161039348) has the molecular formula C70H94F2N16O16S4 and a molecular weight of 1581.88 g/mol. Its IUPAC name is 2-[difluoro-[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]sulfanylpyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidine-4,6-diamine;2-N-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]-2-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-[difluoro-[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]sulfanylpyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidine-4,6-diamine;2-N-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]-2-N-methylpyrimidine-2,4,6-triamine
• PubChem CID: 161039348
• Molecular Formula: C70H94F2N16O16S4
• Molecular Weight: 1581.88 g/mol
• Exact Mass: 1580.59
• IUPAC Name: 2-[difluoro-[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]sulfanylpyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidine-4,6-diamine;2-N-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]-2-N-methylpyrimidine-2,4,6-triamine
• SMILES: COCCOCCOCCOc1cc(-c2nc(C(F)(F)Sc3nc(N)cc(N)n3)c(C)s2)ccc1OC.COCCOCCOCCOc1cc(-c2nc(CN(C)c3nc(N)cc(N)n3)c(C)s2)ccc1OC.COCCOCCOCCOc1cc(-c2nc(COc3nc(N)cc(N)n3)c(C)s2)ccc1OC
• InChI: InChI=1S/C24H34N6O5S.C23H29F2N5O5S2.C23H31N5O6S/c1-16-18(15-30(2)24-28-21(25)14-22(26)29-24)27-23(36-16)17-5-6-19(32-4)20(13-17)35-12-11-34-10-9-33-8-7-31-3;1-14-20(23(24,25)37-22-28-18(26)13-19(27)29-22)30-21(36-14)15-4-5-16(32-3)17(12-15)35-11-10-34-9-8-33-7-6-31-2;1-15-17(14-34-23-27-20(24)13-21(25)28-23)26-22(35-15)16-4-5-18(30-3)19(12-16)33-11-10-32-9-8-31-7-6-29-2/h5-6,13-14H,7-12,15H2,1-4H3,(H4,25,26,28,29);4-5,12-13H,6-11H2,1-3H3,(H4,26,27,28,29);4-5,12-13H,6-11,14H2,1-3H3,(H4,24,25,27,28)
• InChIKey: UARIDODBHKYWEE-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 423.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 45
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1581.88
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]sulfanylpyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidine-4,6-diamine;2-N-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]-2-N-methylpyrimidine-2,4,6-triamine?

The IUPAC name of 2-[difluoro-[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]sulfanylpyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidine-4,6-diamine;2-N-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]-2-N-methylpyrimidine-2,4,6-triamine (CID 161039348) is 2-[difluoro-[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]sulfanylpyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidine-4,6-diamine;2-N-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]-2-N-methylpyrimidine-2,4,6-triamine.

What is the SMILES notation for 2-[difluoro-[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]sulfanylpyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidine-4,6-diamine;2-N-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]-2-N-methylpyrimidine-2,4,6-triamine?

The canonical SMILES for 2-[difluoro-[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]sulfanylpyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidine-4,6-diamine;2-N-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]-2-N-methylpyrimidine-2,4,6-triamine is COCCOCCOCCOc1cc(-c2nc(C(F)(F)Sc3nc(N)cc(N)n3)c(C)s2)ccc1OC.COCCOCCOCCOc1cc(-c2nc(CN(C)c3nc(N)cc(N)n3)c(C)s2)ccc1OC.COCCOCCOCCOc1cc(-c2nc(COc3nc(N)cc(N)n3)c(C)s2)ccc1OC.

What is the InChIKey of 2-[difluoro-[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]sulfanylpyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidine-4,6-diamine;2-N-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]-2-N-methylpyrimidine-2,4,6-triamine?

The InChIKey is UARIDODBHKYWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O5S.C23H29F2N5O5S2.C23H31N5O6S/c1-16-18(15-30(2)24-28-21(25)14-22(26)29-24)27-23(36-16)17-5-6-19(32-4)20(13-17)35-12-11-34-10-9-33-8-7-31-3;1-14-20(23(24,25)37-22-28-18(26)13-19(27)29-22)30-21(36-14)15-4-5-16(32-3)17(12-15)35-11-10-34-9-8-33-7-6-31-2;1-15-17(14-34-23-27-20(24)13-21(25)28-23)26-22(35-15)16-4-5-18(30-3)19(12-16)33-11-10-32-9-8-31-7-6-29-2/h5-6,13-14H,7-12,15H2,1-4H3,(H4,25,26,28,29);4-5,12-13H,6-11H2,1-3H3,(H4,26,27,28,29);4-5,12-13H,6-11,14H2,1-3H3,(H4,24,25,27,28).

What are the key properties of 2-[difluoro-[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]sulfanylpyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidine-4,6-diamine;2-N-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]-2-N-methylpyrimidine-2,4,6-triamine?

2-[difluoro-[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]sulfanylpyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidine-4,6-diamine;2-N-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]-2-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 1581.88 g/mol, XLogP of 9.48, 45 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[difluoro-[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]sulfanylpyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methoxy]pyrimidine-4,6-diamine;2-N-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methyl]-2-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 161039348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).