ethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate

C16H20N2O3S — CID 914339

IUPACethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1sc(C)c2c(=O)n(C3CCCCC3)cnc12
InChIInChI=1S/C16H20N2O3S/c1-3-21-16(20)14-13-12(10(2)22-14)15(19)18(9-17-13)11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3
InChIKeyFBGIGWUKHNISRK-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.45
Rot. Bonds3

About ethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate

ethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate (PubChem CID 914339) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is ethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate
PubChem CID914339
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Nameethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1sc(C)c2c(=O)n(C3CCCCC3)cnc12
InChIInChI=1S/C16H20N2O3S/c1-3-21-16(20)14-13-12(10(2)22-14)15(19)18(9-17-13)11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3
InChIKeyFBGIGWUKHNISRK-UHFFFAOYSA-N
XLogP3.45
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate?
The IUPAC name of ethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate (CID 914339) is ethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate is CCOC(=O)c1sc(C)c2c(=O)n(C3CCCCC3)cnc12.
What is the InChIKey of ethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate?
The InChIKey is FBGIGWUKHNISRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-21-16(20)14-13-12(10(2)22-14)15(19)18(9-17-13)11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3.
What are the key properties of ethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate?
ethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate has a molecular weight of 320.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclohexyl-5-methyl-4-oxothieno[3,4-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 914339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).