6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione

C18H19FN2O3S — CID 122543915

IUPAC6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1cccc(-c2sc3c(c2C)c(=O)n(CCCO)c(=O)n3C)c1F
InChIInChI=1S/C18H19FN2O3S/c1-10-6-4-7-12(14(10)19)15-11(2)13-16(23)21(8-5-9-22)18(24)20(3)17(13)25-15/h4,6-7,22H,5,8-9H2,1-3H3
InChIKeyXCPDBDYRWVTIOH-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.57
Rot. Bonds4

About 6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione

6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 122543915) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID122543915
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1cccc(-c2sc3c(c2C)c(=O)n(CCCO)c(=O)n3C)c1F
InChIInChI=1S/C18H19FN2O3S/c1-10-6-4-7-12(14(10)19)15-11(2)13-16(23)21(8-5-9-22)18(24)20(3)17(13)25-15/h4,6-7,22H,5,8-9H2,1-3H3
InChIKeyXCPDBDYRWVTIOH-UHFFFAOYSA-N
XLogP2.57
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione (CID 122543915) is 6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione is Cc1cccc(-c2sc3c(c2C)c(=O)n(CCCO)c(=O)n3C)c1F.
What is the InChIKey of 6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XCPDBDYRWVTIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-10-6-4-7-12(14(10)19)15-11(2)13-16(23)21(8-5-9-22)18(24)20(3)17(13)25-15/h4,6-7,22H,5,8-9H2,1-3H3.
What are the key properties of 6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methylphenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 122543915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).