4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine

C73H66ClN13O2S3 — CID 157409880

About 4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine

4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 157409880) has the molecular formula C73H66ClN13O2S3 and a molecular weight of 1289.07 g/mol. Its IUPAC name is 4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 157409880
• Molecular Formula: C73H66ClN13O2S3
• Molecular Weight: 1289.07 g/mol
• Exact Mass: 1287.43
• IUPAC Name: 4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
• SMILES: CC(C)Nc1ncnc2scc(-c3ccccc3)c12.CC1CCCCN1c1ncnc2scc(-c3ccc(Cl)cc3)c12.Cc1c(C(=O)N2CCOCC2)cc(-c2ccccc2)n1-c1ccccc1.c1ccc(-c2cc3c(-n4nnc5ccccc54)ncnc3s2)cc1
• InChI: InChI=1S/C22H22N2O2.C18H18ClN3S.C18H11N5S.C15H15N3S/c1-17-20(22(25)23-12-14-26-15-13-23)16-21(18-8-4-2-5-9-18)24(17)19-10-6-3-7-11-19;1-12-4-2-3-9-22(12)17-16-15(10-23-18(16)21-11-20-17)13-5-7-14(19)8-6-13;1-2-6-12(7-3-1)16-10-13-17(19-11-20-18(13)24-16)23-15-9-5-4-8-14(15)21-22-23;1-10(2)18-14-13-12(11-6-4-3-5-7-11)8-19-15(13)17-9-16-14/h2-11,16H,12-15H2,1H3;5-8,10-12H,2-4,9H2,1H3;1-11H;3-10H,1-2H3,(H,16,17,18)
• InChIKey: BODQIKQOOQREMT-UHFFFAOYSA-N
• XLogP: 17.59
• TPSA: 157.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.07
LogP ≤ 5	17.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 157409880) is 4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine is CC(C)Nc1ncnc2scc(-c3ccccc3)c12.CC1CCCCN1c1ncnc2scc(-c3ccc(Cl)cc3)c12.Cc1c(C(=O)N2CCOCC2)cc(-c2ccccc2)n1-c1ccccc1.c1ccc(-c2cc3c(-n4nnc5ccccc54)ncnc3s2)cc1.

What is the InChIKey of 4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?

The InChIKey is BODQIKQOOQREMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2.C18H18ClN3S.C18H11N5S.C15H15N3S/c1-17-20(22(25)23-12-14-26-15-13-23)16-21(18-8-4-2-5-9-18)24(17)19-10-6-3-7-11-19;1-12-4-2-3-9-22(12)17-16-15(10-23-18(16)21-11-20-17)13-5-7-14(19)8-6-13;1-2-6-12(7-3-1)16-10-13-17(19-11-20-18(13)24-16)23-15-9-5-4-8-14(15)21-22-23;1-10(2)18-14-13-12(11-6-4-3-5-7-11)8-19-15(13)17-9-16-14/h2-11,16H,12-15H2,1H3;5-8,10-12H,2-4,9H2,1H3;1-11H;3-10H,1-2H3,(H,16,17,18).

What are the key properties of 4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?

4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 1289.07 g/mol, XLogP of 17.59, 10 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 157409880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).