2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one

C13H13N3OS — CID 66743771

IUPAC2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCC1(C)NC(=O)c2sc(-c3ccncc3)cc2N1
InChIInChI=1S/C13H13N3OS/c1-13(2)15-9-7-10(8-3-5-14-6-4-8)18-11(9)12(17)16-13/h3-7,15H,1-2H3,(H,16,17)
InChIKeyLHJWDAABBSKSEQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.70
Rot. Bonds1

About 2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one

2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 66743771) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID66743771
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCC1(C)NC(=O)c2sc(-c3ccncc3)cc2N1
InChIInChI=1S/C13H13N3OS/c1-13(2)15-9-7-10(8-3-5-14-6-4-8)18-11(9)12(17)16-13/h3-7,15H,1-2H3,(H,16,17)
InChIKeyLHJWDAABBSKSEQ-UHFFFAOYSA-N
XLogP2.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[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 2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one (CID 66743771) is 2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one is CC1(C)NC(=O)c2sc(-c3ccncc3)cc2N1.
What is the InChIKey of 2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is LHJWDAABBSKSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-13(2)15-9-7-10(8-3-5-14-6-4-8)18-11(9)12(17)16-13/h3-7,15H,1-2H3,(H,16,17).
What are the key properties of 2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one?
2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 259.33 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-pyridin-4-yl-1,3-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 66743771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).