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

C11H12N2OS — CID 106518158

IUPAC6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione
SMILESCCCc1c(-c2ccco2)[nH]cnc1=S
InChIInChI=1S/C11H12N2OS/c1-2-4-8-10(9-5-3-6-14-9)12-7-13-11(8)15/h3,5-7H,2,4H2,1H3,(H,12,13,15)
InChIKeyAMZPZBWKZWHDCH-UHFFFAOYSA-N
MW220.30 g/mol
LogP3.35
Rot. Bonds3

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

6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione (PubChem CID 106518158) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione
PubChem CID106518158
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione
SMILESCCCc1c(-c2ccco2)[nH]cnc1=S
InChIInChI=1S/C11H12N2OS/c1-2-4-8-10(9-5-3-6-14-9)12-7-13-11(8)15/h3,5-7H,2,4H2,1H3,(H,12,13,15)
InChIKeyAMZPZBWKZWHDCH-UHFFFAOYSA-N
XLogP3.35
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 53.35
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-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione
CID 106518134
4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 136692913
methyl 3-fluoro-5-(5-propyl-4-sulfanylidene-1H-pyrimidin-6-yl)benzoate
CID 106522919
5-ethyl-6-(4-methylphenyl)-1H-pyrimidine-4-thione
CID 106513870
6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione
CID 106519161
2-(furan-2-yl)-5-(5-phenyl-1H-imidazol-4-yl)pyrimidine
CID 50963722
ethane;2-(furan-2-yl)furan
CID 161366084
2-(furan-2-yl)-7H-purine
CID 69436374
6-(furan-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80945903
2-[3-(furan-2-yl)-5-propan-2-yl-1H-pyrazol-4-yl]ethanol
CID 121212557
2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
CID 141416431
O-[6-(furan-2-yl)-7H-purin-2-yl] methanethioate
CID 87502540

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione (CID 106518158) is 6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione is CCCc1c(-c2ccco2)[nH]cnc1=S.
What is the InChIKey of 6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione?
The InChIKey is AMZPZBWKZWHDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-4-8-10(9-5-3-6-14-9)12-7-13-11(8)15/h3,5-7H,2,4H2,1H3,(H,12,13,15).
What are the key properties of 6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione?
6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione has a molecular weight of 220.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106518158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).