6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione

C15H15N3S2 — CID 106481392

IUPAC6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(-c2cnc3ccsc3c2)[nH]1
InChIInChI=1S/C15H15N3S2/c1-9(2)5-11-7-14(19)18-15(17-11)10-6-13-12(16-8-10)3-4-20-13/h3-4,6-9H,5H2,1-2H3,(H,17,18,19)
InChIKeyGMUSCVITWJXHRB-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.61
Rot. Bonds3

About 6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione

6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione (PubChem CID 106481392) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione
PubChem CID106481392
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC Name6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(-c2cnc3ccsc3c2)[nH]1
InChIInChI=1S/C15H15N3S2/c1-9(2)5-11-7-14(19)18-15(17-11)10-6-13-12(16-8-10)3-4-20-13/h3-4,6-9H,5H2,1-2H3,(H,17,18,19)
InChIKeyGMUSCVITWJXHRB-UHFFFAOYSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-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-(2-methylpropyl)-2-(5-methylpyrimidin-2-yl)-1H-pyrimidine-4-thione
CID 106481311
2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 136700027
2-(3-fluoro-5-methylphenyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481282
6-(2-methylpropyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106481332
2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481284
1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 81147332
6-(2-methylpropyl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776854
[3-(2-methylpropyl)phenyl]-thieno[3,2-b]pyridin-6-ylmethanol
CID 116543760
1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol
CID 109396051
2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 81146383
5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol
CID 109396323
3-methyl-4-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106526020

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione (CID 106481392) is 6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione is CC(C)Cc1cc(=S)nc(-c2cnc3ccsc3c2)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione?
The InChIKey is GMUSCVITWJXHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-9(2)5-11-7-14(19)18-15(17-11)10-6-13-12(16-8-10)3-4-20-13/h3-4,6-9H,5H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione?
6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione has a molecular weight of 301.44 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).