3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione

C15H20N2O3S — CID 155522797

IUPAC3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2c3c(sc2n(CCOC)c1=O)CCCC3
InChIInChI=1S/C15H20N2O3S/c1-3-16-13(18)12-10-6-4-5-7-11(10)21-14(12)17(15(16)19)8-9-20-2/h3-9H2,1-2H3
InChIKeyVQQPSKMMNVPFLV-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.77
Rot. Bonds4

About 3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione

3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 155522797) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
PubChem CID155522797
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2c3c(sc2n(CCOC)c1=O)CCCC3
InChIInChI=1S/C15H20N2O3S/c1-3-16-13(18)12-10-6-4-5-7-11(10)21-14(12)17(15(16)19)8-9-20-2/h3-9H2,1-2H3
InChIKeyVQQPSKMMNVPFLV-UHFFFAOYSA-N
XLogP1.77
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione (CID 155522797) is 3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)c2c3c(sc2n(CCOC)c1=O)CCCC3.
What is the InChIKey of 3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VQQPSKMMNVPFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-16-13(18)12-10-6-4-5-7-11(10)21-14(12)17(15(16)19)8-9-20-2/h3-9H2,1-2H3.
What are the key properties of 3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione?
3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 308.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155522797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).