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

C10H8FN3S — CID 106520460

IUPAC5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione
SMILESCc1cncc(-c2[nH]c(=S)ncc2F)c1
InChIInChI=1S/C10H8FN3S/c1-6-2-7(4-12-3-6)9-8(11)5-13-10(15)14-9/h2-5H,1H3,(H,13,14,15)
InChIKeyYNOULMJWIOBUNX-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.65
Rot. Bonds1

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

5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione (PubChem CID 106520460) has the molecular formula C10H8FN3S and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione
PubChem CID106520460
Molecular FormulaC10H8FN3S
Molecular Weight221.26 g/mol
Exact Mass221.04
IUPAC Name5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione
SMILESCc1cncc(-c2[nH]c(=S)ncc2F)c1
InChIInChI=1S/C10H8FN3S/c1-6-2-7(4-12-3-6)9-8(11)5-13-10(15)14-9/h2-5H,1H3,(H,13,14,15)
InChIKeyYNOULMJWIOBUNX-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.65
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-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106515789
5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106520729
6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106516337
5-fluoro-6-[2-methyl-4-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione
CID 106522970
5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione
CID 130649775
5-fluoro-6-(2-methylphenyl)-1H-pyrimidine-2-thione
CID 106514472
6-(3-ethoxyphenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106519878
5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidin-2-one
CID 106520467
2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520450
6-(4-cyclobutylphenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106521756
ethane;3-fluoro-5-methylpyridine
CID 142820910
2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520464

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione?
The IUPAC name of 5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione (CID 106520460) is 5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione?
The canonical SMILES for 5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione is Cc1cncc(-c2[nH]c(=S)ncc2F)c1.
What is the InChIKey of 5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione?
The InChIKey is YNOULMJWIOBUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3S/c1-6-2-7(4-12-3-6)9-8(11)5-13-10(15)14-9/h2-5H,1H3,(H,13,14,15).
What are the key properties of 5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione?
5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione has a molecular weight of 221.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 106520460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).