5-methoxy-2-methyl-1H-pyrimidine-6-thione

C6H8N2OS — CID 13158864

IUPAC5-methoxy-2-methyl-1H-pyrimidine-6-thione
SMILESCOc1cnc(C)[nH]c1=S
InChIInChI=1S/C6H8N2OS/c1-4-7-3-5(9-2)6(10)8-4/h3H,1-2H3,(H,7,8,10)
InChIKeyCZHGBPGGMIKTBF-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.46
Rot. Bonds1

About 5-methoxy-2-methyl-1H-pyrimidine-6-thione

5-methoxy-2-methyl-1H-pyrimidine-6-thione (PubChem CID 13158864) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 5-methoxy-2-methyl-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name5-methoxy-2-methyl-1H-pyrimidine-6-thione
PubChem CID13158864
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name5-methoxy-2-methyl-1H-pyrimidine-6-thione
SMILESCOc1cnc(C)[nH]c1=S
InChIInChI=1S/C6H8N2OS/c1-4-7-3-5(9-2)6(10)8-4/h3H,1-2H3,(H,7,8,10)
InChIKeyCZHGBPGGMIKTBF-UHFFFAOYSA-N
XLogP1.46
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
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 5-methoxy-2-methyl-1H-pyrimidine-6-thione?
The IUPAC name of 5-methoxy-2-methyl-1H-pyrimidine-6-thione (CID 13158864) is 5-methoxy-2-methyl-1H-pyrimidine-6-thione.
What is the SMILES notation for 5-methoxy-2-methyl-1H-pyrimidine-6-thione?
The canonical SMILES for 5-methoxy-2-methyl-1H-pyrimidine-6-thione is COc1cnc(C)[nH]c1=S.
What is the InChIKey of 5-methoxy-2-methyl-1H-pyrimidine-6-thione?
The InChIKey is CZHGBPGGMIKTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-4-7-3-5(9-2)6(10)8-4/h3H,1-2H3,(H,7,8,10).
What are the key properties of 5-methoxy-2-methyl-1H-pyrimidine-6-thione?
5-methoxy-2-methyl-1H-pyrimidine-6-thione has a molecular weight of 156.21 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-1H-pyrimidine-6-thione is sourced from PubChem (CID 13158864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).