7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol

C95H89Br2N25O9S5 — CID 159685201

About 7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol

7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol (PubChem CID 159685201) has the molecular formula C95H89Br2N25O9S5 and a molecular weight of 2045.07 g/mol. Its IUPAC name is 7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol.

Molecular Properties

• Compound Name: 7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol
• PubChem CID: 159685201
• Molecular Formula: C95H89Br2N25O9S5
• Molecular Weight: 2045.07 g/mol
• Exact Mass: 2041.42
• IUPAC Name: 7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol
• SMILES: COc1cc(CBr)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.COc1cc(OCC(=O)O)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.COc1cc(OCCCBr)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1C=O.Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1O
• InChI: InChI=1S/C21H22BrN5O2S.C20H19N5O4S.C19H18BrN5OS.C18H15N5OS.C17H15N5OS/c1-13-19(16-6-5-15(9-17(16)28-3)29-8-4-7-22)20-18(30-13)11-23-21(26-20)25-14-10-24-27(2)12-14;1-11-18(14-5-4-13(6-15(14)28-3)29-10-17(26)27)19-16(30-11)8-21-20(24-19)23-12-7-22-25(2)9-12;1-11-17(14-5-4-12(7-20)6-15(14)26-3)18-16(27-11)9-21-19(24-18)23-13-8-22-25(2)10-13;1-11-16(14-6-4-3-5-12(14)10-24)17-15(25-11)8-19-18(22-17)21-13-7-20-23(2)9-13;1-10-15(12-5-3-4-6-13(12)23)16-14(24-10)8-18-17(21-16)20-11-7-19-22(2)9-11/h5-6,9-12H,4,7-8H2,1-3H3,(H,23,25,26);4-9H,10H2,1-3H3,(H,26,27)(H,21,23,24);4-6,8-10H,7H2,1-3H3,(H,21,23,24);3-10H,1-2H3,(H,19,21,22);3-9,23H,1-2H3,(H,18,20,21)
• InChIKey: MVRVNBDXRXQDFO-UHFFFAOYSA-N
• XLogP: 21.79
• TPSA: 398.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 27
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2045.07
LogP ≤ 5	21.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol?

The IUPAC name of 7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol (CID 159685201) is 7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol.

What is the SMILES notation for 7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol?

The canonical SMILES for 7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol is COc1cc(CBr)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.COc1cc(OCC(=O)O)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.COc1cc(OCCCBr)ccc1-c1c(C)sc2cnc(Nc3cnn(C)c3)nc12.Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1C=O.Cc1sc2cnc(Nc3cnn(C)c3)nc2c1-c1ccccc1O.

What is the InChIKey of 7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol?

The InChIKey is MVRVNBDXRXQDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN5O2S.C20H19N5O4S.C19H18BrN5OS.C18H15N5OS.C17H15N5OS/c1-13-19(16-6-5-15(9-17(16)28-3)29-8-4-7-22)20-18(30-13)11-23-21(26-20)25-14-10-24-27(2)12-14;1-11-18(14-5-4-13(6-15(14)28-3)29-10-17(26)27)19-16(30-11)8-21-20(24-19)23-12-7-22-25(2)9-12;1-11-17(14-5-4-12(7-20)6-15(14)26-3)18-16(27-11)9-21-19(24-18)23-13-8-22-25(2)10-13;1-11-16(14-6-4-3-5-12(14)10-24)17-15(25-11)8-19-18(22-17)21-13-7-20-23(2)9-13;1-10-15(12-5-3-4-6-13(12)23)16-14(24-10)8-18-17(21-16)20-11-7-19-22(2)9-11/h5-6,9-12H,4,7-8H2,1-3H3,(H,23,25,26);4-9H,10H2,1-3H3,(H,26,27)(H,21,23,24);4-6,8-10H,7H2,1-3H3,(H,21,23,24);3-10H,1-2H3,(H,19,21,22);3-9,23H,1-2H3,(H,18,20,21).

What are the key properties of 7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol?

7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol has a molecular weight of 2045.07 g/mol, XLogP of 21.79, 27 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(bromomethyl)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;7-[4-(3-bromopropoxy)-2-methoxyphenyl]-6-methyl-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine;2-[3-methoxy-4-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenoxy]acetic acid;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]benzaldehyde;2-[6-methyl-2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenol is sourced from PubChem (CID 159685201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).