3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one

C13H18N2OS — CID 123926331

IUPAC3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCc1cc2c(=O)n(CC(C)C)cnc2s1
InChIInChI=1S/C13H18N2OS/c1-4-5-10-6-11-12(17-10)14-8-15(13(11)16)7-9(2)3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyIQDPXMONGJNLQA-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.07
Rot. Bonds4

About 3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one

3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one (PubChem CID 123926331) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one
PubChem CID123926331
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCc1cc2c(=O)n(CC(C)C)cnc2s1
InChIInChI=1S/C13H18N2OS/c1-4-5-10-6-11-12(17-10)14-8-15(13(11)16)7-9(2)3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyIQDPXMONGJNLQA-UHFFFAOYSA-N
XLogP3.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-chloro-2-hydroxypropyl)-6-pentylthieno[2,3-d]pyrimidin-4-one
CID 118280346
6-ethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)thieno[2,3-d]pyrimidin-4-one
CID 86792550
3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118280400
4-hydroxy-4-[(4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)methyl]piperidine-1-carboxylic acid
CID 122447393
3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 94182767
6-ethyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one
CID 24657952
6-ethyl-3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 126775111
7-[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1,3-dimethylpurine-2,6-dione
CID 42885758
3-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 17425485
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 75373679
7,8-dimethyl-3-(2-methylpropyl)-[1]benzothiolo[3,2-d]pyrimidin-4-one
CID 166429148
5-methyl-3-(2-methylpropyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23411315

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one (CID 123926331) is 3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one is CCCc1cc2c(=O)n(CC(C)C)cnc2s1.
What is the InChIKey of 3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is IQDPXMONGJNLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-4-5-10-6-11-12(17-10)14-8-15(13(11)16)7-9(2)3/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one?
3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 250.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-6-propylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 123926331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).