3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one

C9H9N3OS — CID 122544848

IUPAC3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc2cn(C)c(=S)nc2[nH]c1=O
InChIInChI=1S/C9H9N3OS/c1-5-3-6-4-12(2)9(14)11-7(6)10-8(5)13/h3-4H,1-2H3,(H,10,11,13,14)
InChIKeyFBILJNMJHSJQTQ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.30
Rot. Bonds

About 3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one

3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 122544848) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID122544848
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc2cn(C)c(=S)nc2[nH]c1=O
InChIInChI=1S/C9H9N3OS/c1-5-3-6-4-12(2)9(14)11-7(6)10-8(5)13/h3-4H,1-2H3,(H,10,11,13,14)
InChIKeyFBILJNMJHSJQTQ-UHFFFAOYSA-N
XLogP1.30
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-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 3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one (CID 122544848) is 3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one is Cc1cc2cn(C)c(=S)nc2[nH]c1=O.
What is the InChIKey of 3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FBILJNMJHSJQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-5-3-6-4-12(2)9(14)11-7(6)10-8(5)13/h3-4H,1-2H3,(H,10,11,13,14).
What are the key properties of 3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one?
3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 207.26 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-sulfanylidene-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 122544848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).