3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one

C11H12N2OS — CID 115659168

IUPAC3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CC1CCC1
InChIInChI=1S/C11H12N2OS/c14-11-10-9(4-5-15-10)12-7-13(11)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2
InChIKeyWQFBFORUGRZWNX-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.26
Rot. Bonds2

About 3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one

3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 115659168) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID115659168
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CC1CCC1
InChIInChI=1S/C11H12N2OS/c14-11-10-9(4-5-15-10)12-7-13(11)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2
InChIKeyWQFBFORUGRZWNX-UHFFFAOYSA-N
XLogP2.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(cyclobutylmethyl)thieno[3,2-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

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one (CID 115659168) is 3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1CC1CCC1.
What is the InChIKey of 3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is WQFBFORUGRZWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c14-11-10-9(4-5-15-10)12-7-13(11)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2.
What are the key properties of 3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one?
3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 220.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 115659168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).