6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione

C11H9FN2OS — CID 106520926

IUPAC6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione
SMILESCOc1ccc(-c2ccnc(=S)[nH]2)c(F)c1
InChIInChI=1S/C11H9FN2OS/c1-15-7-2-3-8(9(12)6-7)10-4-5-13-11(16)14-10/h2-6H,1H3,(H,13,14,16)
InChIKeyQJSJQTATPCYPNC-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.95
Rot. Bonds2

About 6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione

6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione (PubChem CID 106520926) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione
PubChem CID106520926
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione
SMILESCOc1ccc(-c2ccnc(=S)[nH]2)c(F)c1
InChIInChI=1S/C11H9FN2OS/c1-15-7-2-3-8(9(12)6-7)10-4-5-13-11(16)14-10/h2-6H,1H3,(H,13,14,16)
InChIKeyQJSJQTATPCYPNC-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

6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione
CID 116900649
2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione
CID 106520915
6-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106520913
6-(2-chloro-5-fluoro-4-methylphenyl)-1H-pyrimidine-2-thione
CID 116900654
6-(2,4-dichlorophenyl)-1H-pyrimidine-2-thione
CID 4773626
3-(2-fluoro-4-methoxyphenyl)-2-methylpyridine
CID 118448916
4-amino-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 102883560
4-(2-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 115505211
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione
CID 106520950
2-(2-fluoro-4-methoxyphenyl)-4-methylpyridin-3-amine
CID 114051155
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione?
The IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione (CID 106520926) is 6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione is COc1ccc(-c2ccnc(=S)[nH]2)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione?
The InChIKey is QJSJQTATPCYPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-15-7-2-3-8(9(12)6-7)10-4-5-13-11(16)14-10/h2-6H,1H3,(H,13,14,16).
What are the key properties of 6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione?
6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-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 6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 106520926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).