2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one

C7H8N4O2S — CID 142692527

IUPAC2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESCS(=O)c1ncc2c(n1)NC(=O)NC2
InChIInChI=1S/C7H8N4O2S/c1-14(13)7-9-3-4-2-8-6(12)10-5(4)11-7/h3H,2H2,1H3,(H2,8,9,10,11,12)
InChIKeyQGMQDCADEGZXKW-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.15
Rot. Bonds1

About 2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one

2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (PubChem CID 142692527) has the molecular formula C7H8N4O2S and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
PubChem CID142692527
Molecular FormulaC7H8N4O2S
Molecular Weight212.23 g/mol
Exact Mass212.04
IUPAC Name2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESCS(=O)c1ncc2c(n1)NC(=O)NC2
InChIInChI=1S/C7H8N4O2S/c1-14(13)7-9-3-4-2-8-6(12)10-5(4)11-7/h3H,2H2,1H3,(H2,8,9,10,11,12)
InChIKeyQGMQDCADEGZXKW-UHFFFAOYSA-N
XLogP-0.15
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-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-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (CID 142692527) is 2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is CS(=O)c1ncc2c(n1)NC(=O)NC2.
What is the InChIKey of 2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The InChIKey is QGMQDCADEGZXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S/c1-14(13)7-9-3-4-2-8-6(12)10-5(4)11-7/h3H,2H2,1H3,(H2,8,9,10,11,12).
What are the key properties of 2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one has a molecular weight of 212.23 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 142692527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).