3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one

C7H8N2OS — CID 71437770

IUPAC3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one
SMILESCn1cnc2c(c1=O)CCS2
InChIInChI=1S/C7H8N2OS/c1-9-4-8-6-5(7(9)10)2-3-11-6/h4H,2-3H2,1H3
InChIKeyYHCODCHIFDFDFP-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.43
Rot. Bonds

About 3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one

3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one (PubChem CID 71437770) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one
PubChem CID71437770
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one
SMILESCn1cnc2c(c1=O)CCS2
InChIInChI=1S/C7H8N2OS/c1-9-4-8-6-5(7(9)10)2-3-11-6/h4H,2-3H2,1H3
InChIKeyYHCODCHIFDFDFP-UHFFFAOYSA-N
XLogP0.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5,6-dihydrothieno[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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one (CID 71437770) is 3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one is Cn1cnc2c(c1=O)CCS2.
What is the InChIKey of 3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one?
The InChIKey is YHCODCHIFDFDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-9-4-8-6-5(7(9)10)2-3-11-6/h4H,2-3H2,1H3.
What are the key properties of 3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one?
3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one has a molecular weight of 168.22 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-dihydrothieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 71437770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).