N-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane

C25H32N6O5S — CID 145304415

IUPACN-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane
SMILESCCN(C)C(=O)Cn1c(=O)c2c(C)c(-n3nccn3)sc2n(CCc2ccccc2OC)c1=O.COC
InChIInChI=1S/C23H26N6O4S.C2H6O/c1-5-26(3)18(30)14-28-20(31)19-15(2)21(29-24-11-12-25-29)34-22(19)27(23(28)32)13-10-16-8-6-7-9-17(16)33-4;1-3-2/h6-9,11-12H,5,10,13-14H2,1-4H3;1-2H3
InChIKeyVUMUFPSIEJYMBP-UHFFFAOYSA-N
MW528.64 g/mol
LogP2.11
Rot. Bonds8

About N-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane

N-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane (PubChem CID 145304415) has the molecular formula C25H32N6O5S and a molecular weight of 528.64 g/mol. Its IUPAC name is N-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane.

Molecular Properties

Compound NameN-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane
PubChem CID145304415
Molecular FormulaC25H32N6O5S
Molecular Weight528.64 g/mol
Exact Mass528.22
IUPAC NameN-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane
SMILESCCN(C)C(=O)Cn1c(=O)c2c(C)c(-n3nccn3)sc2n(CCc2ccccc2OC)c1=O.COC
InChIInChI=1S/C23H26N6O4S.C2H6O/c1-5-26(3)18(30)14-28-20(31)19-15(2)21(29-24-11-12-25-29)34-22(19)27(23(28)32)13-10-16-8-6-7-9-17(16)33-4;1-3-2/h6-9,11-12H,5,10,13-14H2,1-4H3;1-2H3
InChIKeyVUMUFPSIEJYMBP-UHFFFAOYSA-N
XLogP2.11
TPSA113.48 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

N,N-diethyl-2-[1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 145304272
3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]-5-methyl-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 129177238
2-[1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-propan-2-yl-N-propylacetamide
CID 145304145
1-[2-(2-methoxyphenyl)ethyl]-5-methyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 145304176
ethane-1,2-diol;2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methyl-N-propylacetamide
CID 145304187
N-[2-[1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]ethyl]acetamide
CID 145304134
ethyl 2-[6-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetate
CID 10815506
2-[1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 145319740
2-[1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide
CID 145319631
2-[6-(ethylcarbamoyl)-1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 134570005
2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-propylacetamide
CID 145304401
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-6-(triazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 129177184

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane?
The IUPAC name of N-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane (CID 145304415) is N-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane.
What is the SMILES notation for N-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane?
The canonical SMILES for N-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane is CCN(C)C(=O)Cn1c(=O)c2c(C)c(-n3nccn3)sc2n(CCc2ccccc2OC)c1=O.COC.
What is the InChIKey of N-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane?
The InChIKey is VUMUFPSIEJYMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S.C2H6O/c1-5-26(3)18(30)14-28-20(31)19-15(2)21(29-24-11-12-25-29)34-22(19)27(23(28)32)13-10-16-8-6-7-9-17(16)33-4;1-3-2/h6-9,11-12H,5,10,13-14H2,1-4H3;1-2H3.
What are the key properties of N-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane?
N-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane has a molecular weight of 528.64 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide;methoxymethane is sourced from PubChem (CID 145304415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).