2,3-dimethylpyrimidine-4-thione

C6H8N2S — CID 20678886

IUPAC2,3-dimethylpyrimidine-4-thione
SMILESCc1nccc(=S)n1C
InChIInChI=1S/C6H8N2S/c1-5-7-4-3-6(9)8(5)2/h3-4H,1-2H3
InChIKeyWXUMNZVDGINWQD-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.46
Rot. Bonds

About 2,3-dimethylpyrimidine-4-thione

2,3-dimethylpyrimidine-4-thione (PubChem CID 20678886) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 2,3-dimethylpyrimidine-4-thione.

Molecular Properties

Compound Name2,3-dimethylpyrimidine-4-thione
PubChem CID20678886
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name2,3-dimethylpyrimidine-4-thione
SMILESCc1nccc(=S)n1C
InChIInChI=1S/C6H8N2S/c1-5-7-4-3-6(9)8(5)2/h3-4H,1-2H3
InChIKeyWXUMNZVDGINWQD-UHFFFAOYSA-N
XLogP1.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methylpyrimidine-4(3H)-thione
CID 303843
2-(Dimethylamino)-3-methyl-4(3H)-pyrimidinethione
CID 45118483
Pyrimidine, 4-dimethylamino-1,2-dihydro-1-methyl-2-thio-
CID 171384593
carbanide;3-methyl-2H-pyrimidin-2-ide-4-thione;tungsten(2+)
CID 20662590
1-Ethyl-2-methyl-1,4-dihydropyrimidine
CID 45087199
Pyrantel Embonate Impurity I
CID 54555363
1,3-Dimethyl-4-methyliminopyrimidine-2-thione
CID 57255514
3-Propan-2-ylpyrimidine-4-thione
CID 59386650
3-ethyl-2-methyl-4H-pyrimidine
CID 66729714
3-Prop-2-enylpyrimidine-4-thione
CID 88373446
2H-pyrrolo[1,2-a]pyrimidine-6-thione
CID 141197078
3-Ethylpyrimidine-4-thione
CID 168106023

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyrimidine-4-thione?
The IUPAC name of 2,3-dimethylpyrimidine-4-thione (CID 20678886) is 2,3-dimethylpyrimidine-4-thione.
What is the SMILES notation for 2,3-dimethylpyrimidine-4-thione?
The canonical SMILES for 2,3-dimethylpyrimidine-4-thione is Cc1nccc(=S)n1C.
What is the InChIKey of 2,3-dimethylpyrimidine-4-thione?
The InChIKey is WXUMNZVDGINWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-5-7-4-3-6(9)8(5)2/h3-4H,1-2H3.
What are the key properties of 2,3-dimethylpyrimidine-4-thione?
2,3-dimethylpyrimidine-4-thione has a molecular weight of 140.21 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyrimidine-4-thione is sourced from PubChem (CID 20678886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).