4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C33H28ClN7O2S2 — CID 161065061

About 4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 161065061) has the molecular formula C33H28ClN7O2S2 and a molecular weight of 654.22 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 161065061
• Molecular Formula: C33H28ClN7O2S2
• Molecular Weight: 654.22 g/mol
• Exact Mass: 653.14
• IUPAC Name: 4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
• SMILES: COc1ccc(CNc2nc(-c3ccccn3)nc3sc(C)cc23)cc1OC.Cc1cc2c(Cl)nc(-c3ccccn3)nc2s1
• InChI: InChI=1S/C21H20N4O2S.C12H8ClN3S/c1-13-10-15-19(23-12-14-7-8-17(26-2)18(11-14)27-3)24-20(25-21(15)28-13)16-6-4-5-9-22-16;1-7-6-8-10(13)15-11(16-12(8)17-7)9-4-2-3-5-14-9/h4-11H,12H2,1-3H3,(H,23,24,25);2-6H,1H3
• InChIKey: UDXKUJJOJQXBBJ-UHFFFAOYSA-N
• XLogP: 8.41
• TPSA: 107.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	654.22
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 161065061) is 4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2nc(-c3ccccn3)nc3sc(C)cc23)cc1OC.Cc1cc2c(Cl)nc(-c3ccccn3)nc2s1.

What is the InChIKey of 4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?

The InChIKey is UDXKUJJOJQXBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S.C12H8ClN3S/c1-13-10-15-19(23-12-14-7-8-17(26-2)18(11-14)27-3)24-20(25-21(15)28-13)16-6-4-5-9-22-16;1-7-6-8-10(13)15-11(16-12(8)17-7)9-4-2-3-5-14-9/h4-11H,12H2,1-3H3,(H,23,24,25);2-6H,1H3.

What are the key properties of 4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?

4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 654.22 g/mol, XLogP of 8.41, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 161065061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).