2-[1-[2-(2-aminoethoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide

C27H35N7O5S — CID 154955448

About 2-[1-[2-(2-aminoethoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide

2-[1-[2-(2-aminoethoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide (PubChem CID 154955448) has the molecular formula C27H35N7O5S and a molecular weight of 569.69 g/mol. Its IUPAC name is 2-[1-[2-(2-aminoethoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 2-[1-[2-(2-aminoethoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide
• PubChem CID: 154955448
• Molecular Formula: C27H35N7O5S
• Molecular Weight: 569.69 g/mol
• Exact Mass: 569.24
• IUPAC Name: 2-[1-[2-(2-aminoethoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide
• SMILES: COc1ccccc1C(Cn1c(=O)n(C(C)(C)C(=O)NC(C)C)c(=O)c2c(C)c(-n3nccn3)sc21)OCCN
• InChI: InChI=1S/C27H35N7O5S/c1-16(2)31-25(36)27(4,5)33-22(35)21-17(3)23(34-29-12-13-30-34)40-24(21)32(26(33)37)15-20(39-14-11-28)18-9-7-8-10-19(18)38-6/h7-10,12-13,16,20H,11,14-15,28H2,1-6H3,(H,31,36)
• InChIKey: JYISBYAWOBIWDV-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 148.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.69
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-aminoethoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide?

The IUPAC name of 2-[1-[2-(2-aminoethoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide (CID 154955448) is 2-[1-[2-(2-aminoethoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide.

What is the SMILES notation for 2-[1-[2-(2-aminoethoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide?

The canonical SMILES for 2-[1-[2-(2-aminoethoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide is COc1ccccc1C(Cn1c(=O)n(C(C)(C)C(=O)NC(C)C)c(=O)c2c(C)c(-n3nccn3)sc21)OCCN.

What is the InChIKey of 2-[1-[2-(2-aminoethoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide?

The InChIKey is JYISBYAWOBIWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O5S/c1-16(2)31-25(36)27(4,5)33-22(35)21-17(3)23(34-29-12-13-30-34)40-24(21)32(26(33)37)15-20(39-14-11-28)18-9-7-8-10-19(18)38-6/h7-10,12-13,16,20H,11,14-15,28H2,1-6H3,(H,31,36).

What are the key properties of 2-[1-[2-(2-aminoethoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide?

2-[1-[2-(2-aminoethoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 569.69 g/mol, XLogP of 2.10, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(2-aminoethoxy)-2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 154955448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).