6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-thione

C11H9FN2OS — CID 106520556

IUPAC6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-thione
SMILESCOc1cccc(-c2cc(=S)nc[nH]2)c1F
InChIInChI=1S/C11H9FN2OS/c1-15-9-4-2-3-7(11(9)12)8-5-10(16)14-6-13-8/h2-6H,1H3,(H,13,14,16)
InChIKeyGZICVXGQVJZFGC-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.95
Rot. Bonds2

About 6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-thione

6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-thione (PubChem CID 106520556) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-thione
PubChem CID106520556
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-thione
SMILESCOc1cccc(-c2cc(=S)nc[nH]2)c1F
InChIInChI=1S/C11H9FN2OS/c1-15-9-4-2-3-7(11(9)12)8-5-10(16)14-6-13-8/h2-6H,1H3,(H,13,14,16)
InChIKeyGZICVXGQVJZFGC-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-(2,3-difluoro-4-methylphenyl)-1H-pyrimidine-4-thione
CID 107516763
6-(2-propoxyphenyl)-1H-pyrimidine-4-thione
CID 106521585
5-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-6-thione
CID 106520508
6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione
CID 106523057
3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazine-6-thione
CID 106520541
6-(2-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrimidine-2-thione
CID 106520545
6-(1-benzothiophen-7-yl)-1H-pyrimidine-4-thione
CID 106519844
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
CID 50961650
6-(2-fluoro-3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyridin-2-one
CID 53492842
6-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione
CID 106520559
3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazin-6-one
CID 106520555
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-thione (CID 106520556) is 6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-thione is COc1cccc(-c2cc(=S)nc[nH]2)c1F.
What is the InChIKey of 6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-thione?
The InChIKey is GZICVXGQVJZFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-15-9-4-2-3-7(11(9)12)8-5-10(16)14-6-13-8/h2-6H,1H3,(H,13,14,16).
What are the key properties of 6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-thione?
6-(2-fluoro-3-methoxyphenyl)-1H-pyrimidine-4-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-3-methoxyphenyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106520556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).