2-(1-methoxyethyl)-1H-pyrimidine-6-thione

C7H10N2OS — CID 106476483

IUPAC2-(1-methoxyethyl)-1H-pyrimidine-6-thione
SMILESCOC(C)c1nccc(=S)[nH]1
InChIInChI=1S/C7H10N2OS/c1-5(10-2)7-8-4-3-6(11)9-7/h3-5H,1-2H3,(H,8,9,11)
InChIKeyIBQMPCHVPSMBFU-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.85
Rot. Bonds2

About 2-(1-methoxyethyl)-1H-pyrimidine-6-thione

2-(1-methoxyethyl)-1H-pyrimidine-6-thione (PubChem CID 106476483) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(1-methoxyethyl)-1H-pyrimidine-6-thione
PubChem CID106476483
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-(1-methoxyethyl)-1H-pyrimidine-6-thione
SMILESCOC(C)c1nccc(=S)[nH]1
InChIInChI=1S/C7H10N2OS/c1-5(10-2)7-8-4-3-6(11)9-7/h3-5H,1-2H3,(H,8,9,11)
InChIKeyIBQMPCHVPSMBFU-UHFFFAOYSA-N
XLogP1.85
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(1-methoxyethyl)-1H-pyrimidine-6-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(1-methoxyethyl)-1H-pyrimidine-6-thione (CID 106476483) is 2-(1-methoxyethyl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(1-methoxyethyl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(1-methoxyethyl)-1H-pyrimidine-6-thione is COC(C)c1nccc(=S)[nH]1.
What is the InChIKey of 2-(1-methoxyethyl)-1H-pyrimidine-6-thione?
The InChIKey is IBQMPCHVPSMBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5(10-2)7-8-4-3-6(11)9-7/h3-5H,1-2H3,(H,8,9,11).
What are the key properties of 2-(1-methoxyethyl)-1H-pyrimidine-6-thione?
2-(1-methoxyethyl)-1H-pyrimidine-6-thione has a molecular weight of 170.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).