2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one

C9H10N4OS — CID 135464093

IUPAC2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one
SMILESCc1cc(C)nc(N=C2NC(=O)CS2)n1
InChIInChI=1S/C9H10N4OS/c1-5-3-6(2)11-8(10-5)13-9-12-7(14)4-15-9/h3H,4H2,1-2H3,(H,10,11,12,13,14)
InChIKeyYFWKABUFPRRMFF-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.94
Rot. Bonds1

About 2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one

2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one (PubChem CID 135464093) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one
PubChem CID135464093
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one
SMILESCc1cc(C)nc(N=C2NC(=O)CS2)n1
InChIInChI=1S/C9H10N4OS/c1-5-3-6(2)11-8(10-5)13-9-12-7(14)4-15-9/h3H,4H2,1-2H3,(H,10,11,12,13,14)
InChIKeyYFWKABUFPRRMFF-UHFFFAOYSA-N
XLogP0.94
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one (CID 135464093) is 2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one is Cc1cc(C)nc(N=C2NC(=O)CS2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one?
The InChIKey is YFWKABUFPRRMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-5-3-6(2)11-8(10-5)13-9-12-7(14)4-15-9/h3H,4H2,1-2H3,(H,10,11,12,13,14).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one?
2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one has a molecular weight of 222.27 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135464093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).