2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione

C11H12N2OS — CID 106475077

IUPAC2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(-c2ccoc2)[nH]1
InChIInChI=1S/C11H12N2OS/c1-2-3-9-6-10(15)13-11(12-9)8-4-5-14-7-8/h4-7H,2-3H2,1H3,(H,12,13,15)
InChIKeyJEJRCGRDWKJHPH-UHFFFAOYSA-N
MW220.30 g/mol
LogP3.35
Rot. Bonds3

About 2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione

2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475077) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475077
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(-c2ccoc2)[nH]1
InChIInChI=1S/C11H12N2OS/c1-2-3-9-6-10(15)13-11(12-9)8-4-5-14-7-8/h4-7H,2-3H2,1H3,(H,12,13,15)
InChIKeyJEJRCGRDWKJHPH-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

2-(4-methylphenyl)-6-propyl-1H-pyrimidine-4-thione
CID 94076925
2-(4-fluoro-3-methylphenyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475223
2-(3-chlorophenyl)-6-propyl-1H-pyrimidine-4-thione
CID 94076991
2-(3-fluoro-5-methylphenyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475058
2-isoquinolin-1-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475233
6-propyl-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidine-4-thione
CID 106475187
5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106476851
2-(4-chlorophenyl)-6-ethyl-1H-pyrimidine-4-thione
CID 94077004
2-(azepan-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475069
6-ethyl-2-(4-methyl-2-pyridinyl)-1H-pyrimidine-4-thione
CID 106476250
6-ethyl-2-(3-fluorophenyl)-1H-pyrimidine-4-thione
CID 94076931
2-(ethylsulfanylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475286

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione (CID 106475077) is 2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(-c2ccoc2)[nH]1.
What is the InChIKey of 2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is JEJRCGRDWKJHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-3-9-6-10(15)13-11(12-9)8-4-5-14-7-8/h4-7H,2-3H2,1H3,(H,12,13,15).
What are the key properties of 2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione?
2-(furan-3-yl)-6-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 2-(furan-3-yl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).