5,6-dimethyl-1H-pyrimidine-4-thione

C6H8N2S — CID 45071758

IUPAC5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]cnc(=S)c1C
InChIInChI=1S/C6H8N2S/c1-4-5(2)7-3-8-6(4)9/h3H,1-2H3,(H,7,8,9)
InChIKeyYKTMRGKTUGDAIE-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.76
Rot. Bonds

About 5,6-dimethyl-1H-pyrimidine-4-thione

5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 45071758) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID45071758
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]cnc(=S)c1C
InChIInChI=1S/C6H8N2S/c1-4-5(2)7-3-8-6(4)9/h3H,1-2H3,(H,7,8,9)
InChIKeyYKTMRGKTUGDAIE-UHFFFAOYSA-N
XLogP1.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-1H-pyrimidine-4-thione (CID 45071758) is 5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-1H-pyrimidine-4-thione is Cc1[nH]cnc(=S)c1C.
What is the InChIKey of 5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is YKTMRGKTUGDAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-4-5(2)7-3-8-6(4)9/h3H,1-2H3,(H,7,8,9).
What are the key properties of 5,6-dimethyl-1H-pyrimidine-4-thione?
5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 140.21 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 45071758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).