6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione

C15H13FN2OS — CID 106521843

IUPAC6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)cc(-c2cc3cc(F)ccc3o2)[nH]1
InChIInChI=1S/C15H13FN2OS/c1-2-3-14-17-11(8-15(20)18-14)13-7-9-6-10(16)4-5-12(9)19-13/h4-8H,2-3H2,1H3,(H,17,18,20)
InChIKeyUUFSBQRFGVSAFM-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.64
Rot. Bonds3

About 6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione

6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione (PubChem CID 106521843) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione
PubChem CID106521843
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)cc(-c2cc3cc(F)ccc3o2)[nH]1
InChIInChI=1S/C15H13FN2OS/c1-2-3-14-17-11(8-15(20)18-14)13-7-9-6-10(16)4-5-12(9)19-13/h4-8H,2-3H2,1H3,(H,17,18,20)
InChIKeyUUFSBQRFGVSAFM-UHFFFAOYSA-N
XLogP4.64
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.64
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

2-ethyl-6-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidine-4-thione
CID 106521830
6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
CID 114734785
2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770193
4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine
CID 114734240
6-(3,5-difluorophenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106514135
6-(3,5-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106519204
5-fluoro-2-propyl-1,3-benzoxazole
CID 82229772
2-propyl-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106516015
N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732421
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869
3-butyl-6-fluorochromen-2-one
CID 162411608
6-(3-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106522233

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione (CID 106521843) is 6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione is CCCc1nc(=S)cc(-c2cc3cc(F)ccc3o2)[nH]1.
What is the InChIKey of 6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione?
The InChIKey is UUFSBQRFGVSAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c1-2-3-14-17-11(8-15(20)18-14)13-7-9-6-10(16)4-5-12(9)19-13/h4-8H,2-3H2,1H3,(H,17,18,20).
What are the key properties of 6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione?
6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione has a molecular weight of 288.35 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-1-benzofuran-2-yl)-2-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106521843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).