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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[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
SMILESCOc1ccccc1C(Cn1c(=O)n(C(C)(C)C(=O)NC(C)C)c(=O)c2c(C)c(-n3nccn3)sc21)OCCN
InChIInChI=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)
InChIKeyJYISBYAWOBIWDV-UHFFFAOYSA-N
MW569.69 g/mol
LogP2.10
Rot. Bonds11

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 Name2-[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 CID154955448
Molecular FormulaC27H35N7O5S
Molecular Weight569.69 g/mol
Exact Mass569.24
IUPAC Name2-[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
SMILESCOc1ccccc1C(Cn1c(=O)n(C(C)(C)C(=O)NC(C)C)c(=O)c2c(C)c(-n3nccn3)sc21)OCCN
InChIInChI=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)
InChIKeyJYISBYAWOBIWDV-UHFFFAOYSA-N
XLogP2.10
TPSA148.29 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.69
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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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).

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