2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)-6-N-methylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-methyl-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-pyridin-2-ylthieno[2,3-d]pyrimidine-4,6-diamine

C103H77N21O2S5 — CID 157317745

About 2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)-6-N-methylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-methyl-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-pyridin-2-ylthieno[2,3-d]pyrimidine-4,6-diamine

2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)-6-N-methylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-methyl-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-pyridin-2-ylthieno[2,3-d]pyrimidine-4,6-diamine (PubChem CID 157317745) has the molecular formula C103H77N21O2S5 and a molecular weight of 1801.23 g/mol. Its IUPAC name is 2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)-6-N-methylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-methyl-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-pyridin-2-ylthieno[2,3-d]pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)-6-N-methylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-methyl-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-pyridin-2-ylthieno[2,3-d]pyrimidine-4,6-diamine
• PubChem CID: 157317745
• Molecular Formula: C103H77N21O2S5
• Molecular Weight: 1801.23 g/mol
• Exact Mass: 1799.52
• IUPAC Name: 2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)-6-N-methylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-methyl-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-pyridin-2-ylthieno[2,3-d]pyrimidine-4,6-diamine
• SMILES: C#Cc1cccc(-c2nc(N)c3cc(N(C)c4ccccc4)sc3n2)c1.C#Cc1cccc(-c2nc(N)c3cc(N(C)c4ccccc4OC)sc3n2)c1.C#Cc1cccc(-c2nc(N)c3cc(Nc4ccccc4)sc3n2)c1.C#Cc1cccc(-c2nc(N)c3cc(Nc4ccccc4OC)sc3n2)c1.C#Cc1cccc(-c2nc(N)c3cc(Nc4ccccn4)sc3n2)c1
• InChI: InChI=1S/C22H18N4OS.C21H16N4OS.C21H16N4S.C20H14N4S.C19H13N5S/c1-4-14-8-7-9-15(12-14)21-24-20(23)16-13-19(28-22(16)25-21)26(2)17-10-5-6-11-18(17)27-3;1-3-13-7-6-8-14(11-13)20-24-19(22)15-12-18(27-21(15)25-20)23-16-9-4-5-10-17(16)26-2;1-3-14-8-7-9-15(12-14)20-23-19(22)17-13-18(26-21(17)24-20)25(2)16-10-5-4-6-11-16;1-2-13-7-6-8-14(11-13)19-23-18(21)16-12-17(25-20(16)24-19)22-15-9-4-3-5-10-15;1-2-12-6-5-7-13(10-12)18-23-17(20)14-11-16(25-19(14)24-18)22-15-8-3-4-9-21-15/h1,5-13H,2-3H3,(H2,23,24,25);1,4-12,23H,2H3,(H2,22,24,25);1,4-13H,2H3,(H2,22,23,24);1,3-12,22H,(H2,21,23,24);1,3-11H,(H,21,22)(H2,20,23,24)
• InChIKey: BDUPSOOIBCULIL-UHFFFAOYSA-N
• XLogP: 22.79
• TPSA: 332.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1801.23
LogP ≤ 5	22.79
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)-6-N-methylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-methyl-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-pyridin-2-ylthieno[2,3-d]pyrimidine-4,6-diamine?

The IUPAC name of 2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)-6-N-methylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-methyl-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-pyridin-2-ylthieno[2,3-d]pyrimidine-4,6-diamine (CID 157317745) is 2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)-6-N-methylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-methyl-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-pyridin-2-ylthieno[2,3-d]pyrimidine-4,6-diamine.

What is the SMILES notation for 2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)-6-N-methylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-methyl-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-pyridin-2-ylthieno[2,3-d]pyrimidine-4,6-diamine?

The canonical SMILES for 2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)-6-N-methylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-methyl-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-pyridin-2-ylthieno[2,3-d]pyrimidine-4,6-diamine is C#Cc1cccc(-c2nc(N)c3cc(N(C)c4ccccc4)sc3n2)c1.C#Cc1cccc(-c2nc(N)c3cc(N(C)c4ccccc4OC)sc3n2)c1.C#Cc1cccc(-c2nc(N)c3cc(Nc4ccccc4)sc3n2)c1.C#Cc1cccc(-c2nc(N)c3cc(Nc4ccccc4OC)sc3n2)c1.C#Cc1cccc(-c2nc(N)c3cc(Nc4ccccn4)sc3n2)c1.

What is the InChIKey of 2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)-6-N-methylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-methyl-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-pyridin-2-ylthieno[2,3-d]pyrimidine-4,6-diamine?

The InChIKey is BDUPSOOIBCULIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS.C21H16N4OS.C21H16N4S.C20H14N4S.C19H13N5S/c1-4-14-8-7-9-15(12-14)21-24-20(23)16-13-19(28-22(16)25-21)26(2)17-10-5-6-11-18(17)27-3;1-3-13-7-6-8-14(11-13)20-24-19(22)15-12-18(27-21(15)25-20)23-16-9-4-5-10-17(16)26-2;1-3-14-8-7-9-15(12-14)20-23-19(22)17-13-18(26-21(17)24-20)25(2)16-10-5-4-6-11-16;1-2-13-7-6-8-14(11-13)19-23-18(21)16-12-17(25-20(16)24-19)22-15-9-4-3-5-10-15;1-2-12-6-5-7-13(10-12)18-23-17(20)14-11-16(25-19(14)24-18)22-15-8-3-4-9-21-15/h1,5-13H,2-3H3,(H2,23,24,25);1,4-12,23H,2H3,(H2,22,24,25);1,4-13H,2H3,(H2,22,23,24);1,3-12,22H,(H2,21,23,24);1,3-11H,(H,21,22)(H2,20,23,24).

What are the key properties of 2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)-6-N-methylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-methyl-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-pyridin-2-ylthieno[2,3-d]pyrimidine-4,6-diamine?

2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)-6-N-methylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-methyl-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-pyridin-2-ylthieno[2,3-d]pyrimidine-4,6-diamine has a molecular weight of 1801.23 g/mol, XLogP of 22.79, 17 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)-6-N-methylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-methyl-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-phenylthieno[2,3-d]pyrimidine-4,6-diamine;2-(3-ethynylphenyl)-6-N-pyridin-2-ylthieno[2,3-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 157317745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).