ethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

C19H21N3O2S — CID 6620673

IUPACethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccccc3)c2c1C
InChIInChI=1S/C19H21N3O2S/c1-5-24-19(23)16-12(2)15-17(20-13(3)21-18(15)25-16)22(4)11-14-9-7-6-8-10-14/h6-10H,5,11H2,1-4H3
InChIKeyFPBQKZCCEPUYOZ-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.12
Rot. Bonds5

About ethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 6620673) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is ethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID6620673
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Nameethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccccc3)c2c1C
InChIInChI=1S/C19H21N3O2S/c1-5-24-19(23)16-12(2)15-17(20-13(3)21-18(15)25-16)22(4)11-14-9-7-6-8-10-14/h6-10H,5,11H2,1-4H3
InChIKeyFPBQKZCCEPUYOZ-UHFFFAOYSA-N
XLogP4.12
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 6620673) is ethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccccc3)c2c1C.
What is the InChIKey of ethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is FPBQKZCCEPUYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-5-24-19(23)16-12(2)15-17(20-13(3)21-18(15)25-16)22(4)11-14-9-7-6-8-10-14/h6-10H,5,11H2,1-4H3.
What are the key properties of ethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 355.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[benzyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 6620673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).