5-methyl-4-methylidene-1H-pyrimidine-2-thione

C6H8N2S — CID 166950172

IUPAC5-methyl-4-methylidene-1H-pyrimidine-2-thione
SMILESC=C1NC(=S)NC=C1C
InChIInChI=1S/C6H8N2S/c1-4-3-7-6(9)8-5(4)2/h3H,2H2,1H3,(H2,7,8,9)
InChIKeyOZVIGHHPVRKICP-UHFFFAOYSA-N
MW140.21 g/mol
LogP0.88
Rot. Bonds

About 5-methyl-4-methylidene-1H-pyrimidine-2-thione

5-methyl-4-methylidene-1H-pyrimidine-2-thione (PubChem CID 166950172) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 5-methyl-4-methylidene-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-methyl-4-methylidene-1H-pyrimidine-2-thione
PubChem CID166950172
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name5-methyl-4-methylidene-1H-pyrimidine-2-thione
SMILESC=C1NC(=S)NC=C1C
InChIInChI=1S/C6H8N2S/c1-4-3-7-6(9)8-5(4)2/h3H,2H2,1H3,(H2,7,8,9)
InChIKeyOZVIGHHPVRKICP-UHFFFAOYSA-N
XLogP0.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylidene-1H-pyrimidine-2-thione?
The IUPAC name of 5-methyl-4-methylidene-1H-pyrimidine-2-thione (CID 166950172) is 5-methyl-4-methylidene-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-methyl-4-methylidene-1H-pyrimidine-2-thione?
The canonical SMILES for 5-methyl-4-methylidene-1H-pyrimidine-2-thione is C=C1NC(=S)NC=C1C.
What is the InChIKey of 5-methyl-4-methylidene-1H-pyrimidine-2-thione?
The InChIKey is OZVIGHHPVRKICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-4-3-7-6(9)8-5(4)2/h3H,2H2,1H3,(H2,7,8,9).
What are the key properties of 5-methyl-4-methylidene-1H-pyrimidine-2-thione?
5-methyl-4-methylidene-1H-pyrimidine-2-thione has a molecular weight of 140.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylidene-1H-pyrimidine-2-thione is sourced from PubChem (CID 166950172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).