2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione

C16H28N4S — CID 82457329

IUPAC2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)cc(NC2CC(C)(C)NC(C)(C)C2)[nH]1
InChIInChI=1S/C16H28N4S/c1-6-7-12-18-13(8-14(21)19-12)17-11-9-15(2,3)20-16(4,5)10-11/h8,11,20H,6-7,9-10H2,1-5H3,(H2,17,18,19,21)
InChIKeyKOMYTURYDZJYPT-UHFFFAOYSA-N
MW308.50 g/mol
LogP3.81
Rot. Bonds4

About 2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione

2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione (PubChem CID 82457329) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is 2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
PubChem CID82457329
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC Name2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)cc(NC2CC(C)(C)NC(C)(C)C2)[nH]1
InChIInChI=1S/C16H28N4S/c1-6-7-12-18-13(8-14(21)19-12)17-11-9-15(2,3)20-16(4,5)10-11/h8,11,20H,6-7,9-10H2,1-5H3,(H2,17,18,19,21)
InChIKeyKOMYTURYDZJYPT-UHFFFAOYSA-N
XLogP3.81
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-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

Frequently Asked Questions

What is the IUPAC name of 2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The IUPAC name of 2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione (CID 82457329) is 2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The canonical SMILES for 2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione is CCCc1nc(=S)cc(NC2CC(C)(C)NC(C)(C)C2)[nH]1.
What is the InChIKey of 2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The InChIKey is KOMYTURYDZJYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-6-7-12-18-13(8-14(21)19-12)17-11-9-15(2,3)20-16(4,5)10-11/h8,11,20H,6-7,9-10H2,1-5H3,(H2,17,18,19,21).
What are the key properties of 2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione has a molecular weight of 308.50 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).