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

C11H9FN2OS — CID 106520508

IUPAC5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione
SMILESCOc1cccc(-c2cnc[nH]c2=S)c1F
InChIInChI=1S/C11H9FN2OS/c1-15-9-4-2-3-7(10(9)12)8-5-13-6-14-11(8)16/h2-6H,1H3,(H,13,14,16)
InChIKeyIOMXTCHLRASUJS-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.95
Rot. Bonds2

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

5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione (PubChem CID 106520508) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione
PubChem CID106520508
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione
SMILESCOc1cccc(-c2cnc[nH]c2=S)c1F
InChIInChI=1S/C11H9FN2OS/c1-15-9-4-2-3-7(10(9)12)8-5-13-6-14-11(8)16/h2-6H,1H3,(H,13,14,16)
InChIKeyIOMXTCHLRASUJS-UHFFFAOYSA-N
XLogP2.95
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione
CID 106518328
6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-thione
CID 106520556
6-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione
CID 106520559
3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazine-6-thione
CID 106520541
4-(2-fluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295549
6-(2-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrimidine-2-thione
CID 106520545
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
CID 50961650
4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136769843
6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106520553
4-(2-fluoro-3-methoxyphenyl)pyrimidin-2-amine
CID 82812333
6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine
CID 82812009

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione?
The IUPAC name of 5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione (CID 106520508) is 5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione?
The canonical SMILES for 5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione is COc1cccc(-c2cnc[nH]c2=S)c1F.
What is the InChIKey of 5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione?
The InChIKey is IOMXTCHLRASUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-15-9-4-2-3-7(10(9)12)8-5-13-6-14-11(8)16/h2-6H,1H3,(H,13,14,16).
What are the key properties of 5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione?
5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione has a molecular weight of 236.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106520508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).