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

C14H24N4S — CID 82457148

IUPAC2-methyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NC2CC(C)(C)NC(C)(C)C2)[nH]1
InChIInChI=1S/C14H24N4S/c1-9-15-11(6-12(19)16-9)17-10-7-13(2,3)18-14(4,5)8-10/h6,10,18H,7-8H2,1-5H3,(H2,15,16,17,19)
InChIKeyDODIEPJJEBNALB-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.17
Rot. Bonds2

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

2-methyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione (PubChem CID 82457148) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-methyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-methyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
PubChem CID82457148
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name2-methyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NC2CC(C)(C)NC(C)(C)C2)[nH]1
InChIInChI=1S/C14H24N4S/c1-9-15-11(6-12(19)16-9)17-10-7-13(2,3)18-14(4,5)8-10/h6,10,18H,7-8H2,1-5H3,(H2,15,16,17,19)
InChIKeyDODIEPJJEBNALB-UHFFFAOYSA-N
XLogP3.17
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The IUPAC name of 2-methyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione (CID 82457148) is 2-methyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-methyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The canonical SMILES for 2-methyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione is Cc1nc(=S)cc(NC2CC(C)(C)NC(C)(C)C2)[nH]1.
What is the InChIKey of 2-methyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The InChIKey is DODIEPJJEBNALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-9-15-11(6-12(19)16-9)17-10-7-13(2,3)18-14(4,5)8-10/h6,10,18H,7-8H2,1-5H3,(H2,15,16,17,19).
What are the key properties of 2-methyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
2-methyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione has a molecular weight of 280.44 g/mol, XLogP of 3.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).