1-methyl-5-pyridin-2-ylpyrimidine-2-thione

C10H9N3S — CID 59306210

IUPAC1-methyl-5-pyridin-2-ylpyrimidine-2-thione
SMILESCn1cc(-c2ccccn2)cnc1=S
InChIInChI=1S/C10H9N3S/c1-13-7-8(6-12-10(13)14)9-4-2-3-5-11-9/h2-7H,1H3
InChIKeyLEUYKYMNGRZHQH-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.21
Rot. Bonds1

About 1-methyl-5-pyridin-2-ylpyrimidine-2-thione

1-methyl-5-pyridin-2-ylpyrimidine-2-thione (PubChem CID 59306210) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-methyl-5-pyridin-2-ylpyrimidine-2-thione.

Molecular Properties

Compound Name1-methyl-5-pyridin-2-ylpyrimidine-2-thione
PubChem CID59306210
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name1-methyl-5-pyridin-2-ylpyrimidine-2-thione
SMILESCn1cc(-c2ccccn2)cnc1=S
InChIInChI=1S/C10H9N3S/c1-13-7-8(6-12-10(13)14)9-4-2-3-5-11-9/h2-7H,1H3
InChIKeyLEUYKYMNGRZHQH-UHFFFAOYSA-N
XLogP2.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-5-pyridin-2-ylpyrimidine-2-thione?
The IUPAC name of 1-methyl-5-pyridin-2-ylpyrimidine-2-thione (CID 59306210) is 1-methyl-5-pyridin-2-ylpyrimidine-2-thione.
What is the SMILES notation for 1-methyl-5-pyridin-2-ylpyrimidine-2-thione?
The canonical SMILES for 1-methyl-5-pyridin-2-ylpyrimidine-2-thione is Cn1cc(-c2ccccn2)cnc1=S.
What is the InChIKey of 1-methyl-5-pyridin-2-ylpyrimidine-2-thione?
The InChIKey is LEUYKYMNGRZHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-13-7-8(6-12-10(13)14)9-4-2-3-5-11-9/h2-7H,1H3.
What are the key properties of 1-methyl-5-pyridin-2-ylpyrimidine-2-thione?
1-methyl-5-pyridin-2-ylpyrimidine-2-thione has a molecular weight of 203.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pyridin-2-ylpyrimidine-2-thione is sourced from PubChem (CID 59306210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).