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

C11H9FN2OS — CID 106518328

IUPAC5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione
SMILESCOc1ccc(F)cc1-c1cnc[nH]c1=S
InChIInChI=1S/C11H9FN2OS/c1-15-10-3-2-7(12)4-8(10)9-5-13-6-14-11(9)16/h2-6H,1H3,(H,13,14,16)
InChIKeyNIPZXNYBENQQNA-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.95
Rot. Bonds2

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

5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione (PubChem CID 106518328) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione
PubChem CID106518328
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione
SMILESCOc1ccc(F)cc1-c1cnc[nH]c1=S
InChIInChI=1S/C11H9FN2OS/c1-15-10-3-2-7(12)4-8(10)9-5-13-6-14-11(9)16/h2-6H,1H3,(H,13,14,16)
InChIKeyNIPZXNYBENQQNA-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-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione
CID 106520508
4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136769276
4-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 70663373
5-(3-fluoro-5-methylphenyl)-1H-pyrimidine-6-thione
CID 106519232
3-(5-fluoro-2-methoxyphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106518375
4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136955594
6-(5-fluoro-2-methoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 94287740
2-(5-fluoro-2-methoxyphenyl)-1H-imidazole
CID 55254368
5-(5-fluoro-2-methoxyphenyl)-3H-1,3,4-thiadiazole-2-thione
CID 106518317
3-(4-fluorophenyl)-4-methoxypyridine
CID 46312990
2-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82297374
4-fluoro-1-methoxy-2-(2-phenylphenyl)benzene
CID 69117197

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione (CID 106518328) is 5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione is COc1ccc(F)cc1-c1cnc[nH]c1=S.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione?
The InChIKey is NIPZXNYBENQQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-15-10-3-2-7(12)4-8(10)9-5-13-6-14-11(9)16/h2-6H,1H3,(H,13,14,16).
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione?
5-(5-fluoro-2-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-(5-fluoro-2-methoxyphenyl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106518328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).