6-butyl-5-fluoro-1H-pyrimidine-2-thione

C8H11FN2S — CID 106659470

IUPAC6-butyl-5-fluoro-1H-pyrimidine-2-thione
SMILESCCCCc1[nH]c(=S)ncc1F
InChIInChI=1S/C8H11FN2S/c1-2-3-4-7-6(9)5-10-8(12)11-7/h5H,2-4H2,1H3,(H,10,11,12)
InChIKeyGFFSPCLCGXGZAN-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.62
Rot. Bonds3

About 6-butyl-5-fluoro-1H-pyrimidine-2-thione

6-butyl-5-fluoro-1H-pyrimidine-2-thione (PubChem CID 106659470) has the molecular formula C8H11FN2S and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-butyl-5-fluoro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-butyl-5-fluoro-1H-pyrimidine-2-thione
PubChem CID106659470
Molecular FormulaC8H11FN2S
Molecular Weight186.25 g/mol
Exact Mass186.06
IUPAC Name6-butyl-5-fluoro-1H-pyrimidine-2-thione
SMILESCCCCc1[nH]c(=S)ncc1F
InChIInChI=1S/C8H11FN2S/c1-2-3-4-7-6(9)5-10-8(12)11-7/h5H,2-4H2,1H3,(H,10,11,12)
InChIKeyGFFSPCLCGXGZAN-UHFFFAOYSA-N
XLogP2.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-6-methyl-1H-pyrimidine-2-thione
CID 154357950
6-butyl-1,7-dihydropurine-2-thione
CID 21115589
6-(3-ethoxyphenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106519878
5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106520729
4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 4022870
5-fluoro-6-(2-methylphenyl)-1H-pyrimidine-2-thione
CID 106514472
6-heptyl-1,7-dihydropurine-2-thione
CID 19689093
2-(6-ethyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84668331
2-butyl-5-propyl-1H-imidazole
CID 68810469
5-fluoro-6-pyrrolidin-1-yl-1H-pyrimidine-2-thione
CID 28537195
5-fluoro-2-hexadecoxy-1H-pyrimidin-6-one
CID 13061618
5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106520460

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-fluoro-1H-pyrimidine-2-thione?
The IUPAC name of 6-butyl-5-fluoro-1H-pyrimidine-2-thione (CID 106659470) is 6-butyl-5-fluoro-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-butyl-5-fluoro-1H-pyrimidine-2-thione?
The canonical SMILES for 6-butyl-5-fluoro-1H-pyrimidine-2-thione is CCCCc1[nH]c(=S)ncc1F.
What is the InChIKey of 6-butyl-5-fluoro-1H-pyrimidine-2-thione?
The InChIKey is GFFSPCLCGXGZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2S/c1-2-3-4-7-6(9)5-10-8(12)11-7/h5H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 6-butyl-5-fluoro-1H-pyrimidine-2-thione?
6-butyl-5-fluoro-1H-pyrimidine-2-thione has a molecular weight of 186.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-fluoro-1H-pyrimidine-2-thione is sourced from PubChem (CID 106659470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).