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

C10H10N2OS — CID 106518134

IUPAC5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1c(-c2ccco2)[nH]cnc1=S
InChIInChI=1S/C10H10N2OS/c1-2-7-9(8-4-3-5-13-8)11-6-12-10(7)14/h3-6H,2H2,1H3,(H,11,12,14)
InChIKeyCGILFJQDIVNMIX-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.96
Rot. Bonds2

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

5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106518134) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione
PubChem CID106518134
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1c(-c2ccco2)[nH]cnc1=S
InChIInChI=1S/C10H10N2OS/c1-2-7-9(8-4-3-5-13-8)11-6-12-10(7)14/h3-6H,2H2,1H3,(H,11,12,14)
InChIKeyCGILFJQDIVNMIX-UHFFFAOYSA-N
XLogP2.96
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.96
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-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione
CID 106518158
5-ethyl-6-quinolin-8-yl-1H-pyrimidine-4-thione
CID 106519661
4-(furan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 136692913
2-(furan-2-yl)-5-(5-phenyl-1H-imidazol-4-yl)pyrimidine
CID 50963722
ethane;2-(furan-2-yl)furan
CID 161366084
6-(3,4-dimethylphenyl)-5-propyl-1H-pyrimidine-4-thione
CID 106516511
5-ethyl-4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine
CID 18507240
6-(2-chloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-4-thione
CID 106520993
2-(furan-2-yl)-7H-purine
CID 69436374
O-[6-(furan-2-yl)-7H-purin-2-yl] methanethioate
CID 87502540
4-[(2-ethoxyphenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
CID 949008
3-(furan-2-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione
CID 843761

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione (CID 106518134) is 5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione is CCc1c(-c2ccco2)[nH]cnc1=S.
What is the InChIKey of 5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is CGILFJQDIVNMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-2-7-9(8-4-3-5-13-8)11-6-12-10(7)14/h3-6H,2H2,1H3,(H,11,12,14).
What are the key properties of 5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione?
5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 206.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106518134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).