5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione

C12H12FN3OS — CID 106520729

IUPAC5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione
SMILESCCCOc1cncc(-c2[nH]c(=S)ncc2F)c1
InChIInChI=1S/C12H12FN3OS/c1-2-3-17-9-4-8(5-14-6-9)11-10(13)7-15-12(18)16-11/h4-7H,2-3H2,1H3,(H,15,16,18)
InChIKeyRYDYEBHICONKSY-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.13
Rot. Bonds4

About 5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione

5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione (PubChem CID 106520729) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione
PubChem CID106520729
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione
SMILESCCCOc1cncc(-c2[nH]c(=S)ncc2F)c1
InChIInChI=1S/C12H12FN3OS/c1-2-3-17-9-4-8(5-14-6-9)11-10(13)7-15-12(18)16-11/h4-7H,2-3H2,1H3,(H,15,16,18)
InChIKeyRYDYEBHICONKSY-UHFFFAOYSA-N
XLogP3.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione with MolForge

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

Launch Full Analysis

Related Compounds

5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106515789
5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106520460
6-(3-ethoxyphenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106519878
5-methoxy-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520720
4-(5-propoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106520742
6-(5-propoxy-3-pyridinyl)pyridin-3-ol
CID 83129184
5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136769899
2,5-dichloro-4-(5-propoxy-3-pyridinyl)phenol
CID 107663404
3-(4-fluoropiperidin-4-yl)-5-propoxypyridine
CID 112563225
3-(3-fluoroazetidin-3-yl)-5-propoxypyridine
CID 112563519
4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid
CID 167815932
2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine
CID 105026955

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione?
The IUPAC name of 5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione (CID 106520729) is 5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione?
The canonical SMILES for 5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione is CCCOc1cncc(-c2[nH]c(=S)ncc2F)c1.
What is the InChIKey of 5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione?
The InChIKey is RYDYEBHICONKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-2-3-17-9-4-8(5-14-6-9)11-10(13)7-15-12(18)16-11/h4-7H,2-3H2,1H3,(H,15,16,18).
What are the key properties of 5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione?
5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione has a molecular weight of 265.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 106520729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).