1-methylpyrimidine-2-thione

C5H6N2S — CID 15607797

IUPAC1-methylpyrimidine-2-thione
SMILESCn1cccnc1=S
InChIInChI=1S/C5H6N2S/c1-7-4-2-3-6-5(7)8/h2-4H,1H3
InChIKeyOUKHMDBDWXLJHT-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.15
Rot. Bonds

About 1-methylpyrimidine-2-thione

1-methylpyrimidine-2-thione (PubChem CID 15607797) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is 1-methylpyrimidine-2-thione.

Molecular Properties

Compound Name1-methylpyrimidine-2-thione
PubChem CID15607797
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Name1-methylpyrimidine-2-thione
SMILESCn1cccnc1=S
InChIInChI=1S/C5H6N2S/c1-7-4-2-3-6-5(7)8/h2-4H,1H3
InChIKeyOUKHMDBDWXLJHT-UHFFFAOYSA-N
XLogP1.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-methylpyrimidine-2-thione?
The IUPAC name of 1-methylpyrimidine-2-thione (CID 15607797) is 1-methylpyrimidine-2-thione.
What is the SMILES notation for 1-methylpyrimidine-2-thione?
The canonical SMILES for 1-methylpyrimidine-2-thione is Cn1cccnc1=S.
What is the InChIKey of 1-methylpyrimidine-2-thione?
The InChIKey is OUKHMDBDWXLJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S/c1-7-4-2-3-6-5(7)8/h2-4H,1H3.
What are the key properties of 1-methylpyrimidine-2-thione?
1-methylpyrimidine-2-thione has a molecular weight of 126.18 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrimidine-2-thione is sourced from PubChem (CID 15607797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).