ethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

C19H21N3O3S — CID 6615359

IUPACethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)nc(NCc3ccccc3OC)c2c1C
InChIInChI=1S/C19H21N3O3S/c1-5-25-19(23)16-11(2)15-17(21-12(3)22-18(15)26-16)20-10-13-8-6-7-9-14(13)24-4/h6-9H,5,10H2,1-4H3,(H,20,21,22)
InChIKeyRLAZHDJFZMYQOV-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.11
Rot. Bonds6

About ethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 6615359) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is ethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID6615359
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Nameethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)nc(NCc3ccccc3OC)c2c1C
InChIInChI=1S/C19H21N3O3S/c1-5-25-19(23)16-11(2)15-17(21-12(3)22-18(15)26-16)20-10-13-8-6-7-9-14(13)24-4/h6-9H,5,10H2,1-4H3,(H,20,21,22)
InChIKeyRLAZHDJFZMYQOV-UHFFFAOYSA-N
XLogP4.11
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 6615359) is ethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(C)nc(NCc3ccccc3OC)c2c1C.
What is the InChIKey of ethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is RLAZHDJFZMYQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-5-25-19(23)16-11(2)15-17(21-12(3)22-18(15)26-16)20-10-13-8-6-7-9-14(13)24-4/h6-9H,5,10H2,1-4H3,(H,20,21,22).
What are the key properties of ethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 371.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 6615359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).