5,6-dimethoxy-1H-pyrimidine-2-thione

C6H8N2O2S — CID 18006384

IUPAC5,6-dimethoxy-1H-pyrimidine-2-thione
SMILESCOc1cnc(=S)[nH]c1OC
InChIInChI=1S/C6H8N2O2S/c1-9-4-3-7-6(11)8-5(4)10-2/h3H,1-2H3,(H,7,8,11)
InChIKeyAPEUHTLELFSREQ-UHFFFAOYSA-N
MW172.21 g/mol
LogP1.16
Rot. Bonds2

About 5,6-dimethoxy-1H-pyrimidine-2-thione

5,6-dimethoxy-1H-pyrimidine-2-thione (PubChem CID 18006384) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 5,6-dimethoxy-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5,6-dimethoxy-1H-pyrimidine-2-thione
PubChem CID18006384
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name5,6-dimethoxy-1H-pyrimidine-2-thione
SMILESCOc1cnc(=S)[nH]c1OC
InChIInChI=1S/C6H8N2O2S/c1-9-4-3-7-6(11)8-5(4)10-2/h3H,1-2H3,(H,7,8,11)
InChIKeyAPEUHTLELFSREQ-UHFFFAOYSA-N
XLogP1.16
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
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 5,6-dimethoxy-1H-pyrimidine-2-thione?
The IUPAC name of 5,6-dimethoxy-1H-pyrimidine-2-thione (CID 18006384) is 5,6-dimethoxy-1H-pyrimidine-2-thione.
What is the SMILES notation for 5,6-dimethoxy-1H-pyrimidine-2-thione?
The canonical SMILES for 5,6-dimethoxy-1H-pyrimidine-2-thione is COc1cnc(=S)[nH]c1OC.
What is the InChIKey of 5,6-dimethoxy-1H-pyrimidine-2-thione?
The InChIKey is APEUHTLELFSREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-9-4-3-7-6(11)8-5(4)10-2/h3H,1-2H3,(H,7,8,11).
What are the key properties of 5,6-dimethoxy-1H-pyrimidine-2-thione?
5,6-dimethoxy-1H-pyrimidine-2-thione has a molecular weight of 172.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1H-pyrimidine-2-thione is sourced from PubChem (CID 18006384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).