5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione

C16H15N3S — CID 106513743

IUPAC5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione
SMILESCCCc1c(-c2cnc3ccccc3c2)[nH]cnc1=S
InChIInChI=1S/C16H15N3S/c1-2-5-13-15(18-10-19-16(13)20)12-8-11-6-3-4-7-14(11)17-9-12/h3-4,6-10H,2,5H2,1H3,(H,18,19,20)
InChIKeyAOWPYOFGGBIUGR-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.31
Rot. Bonds3

About 5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione

5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione (PubChem CID 106513743) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione
PubChem CID106513743
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione
SMILESCCCc1c(-c2cnc3ccccc3c2)[nH]cnc1=S
InChIInChI=1S/C16H15N3S/c1-2-5-13-15(18-10-19-16(13)20)12-8-11-6-3-4-7-14(11)17-9-12/h3-4,6-10H,2,5H2,1H3,(H,18,19,20)
InChIKeyAOWPYOFGGBIUGR-UHFFFAOYSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,4-dimethylphenyl)-5-propyl-1H-pyrimidine-4-thione
CID 106516511
6-(2-chloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-4-thione
CID 106520993
3-(5-phenyl-1H-imidazol-4-yl)quinoline
CID 50948318
6-methyl-5-propyl-1H-pyrimidine-4-thione
CID 106515436
3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline
CID 67501721
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-ethyl-5-quinolin-3-ylbenzaldehyde
CID 144776788
3-(2-propyl-1H-inden-4-yl)quinoline
CID 159825483
3-methylquinoline;pentane
CID 145470784
acridine;9-propylacridine
CID 146450775
3-pyridin-4-ylquinoline
CID 10081720
1-(4-quinolin-3-ylphenyl)propan-1-one
CID 23005158

Frequently Asked Questions

What is the IUPAC name of 5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione (CID 106513743) is 5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione is CCCc1c(-c2cnc3ccccc3c2)[nH]cnc1=S.
What is the InChIKey of 5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione?
The InChIKey is AOWPYOFGGBIUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-5-13-15(18-10-19-16(13)20)12-8-11-6-3-4-7-14(11)17-9-12/h3-4,6-10H,2,5H2,1H3,(H,18,19,20).
What are the key properties of 5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione?
5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione has a molecular weight of 281.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106513743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).