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

C15H26N4S — CID 82457211

IUPAC2-ethyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NC2CC(C)(C)NC(C)(C)C2)[nH]1
InChIInChI=1S/C15H26N4S/c1-6-11-17-12(7-13(20)18-11)16-10-8-14(2,3)19-15(4,5)9-10/h7,10,19H,6,8-9H2,1-5H3,(H2,16,17,18,20)
InChIKeyHGQYKFBXNHNUNR-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.42
Rot. Bonds3

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

2-ethyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione (PubChem CID 82457211) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 2-ethyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
PubChem CID82457211
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name2-ethyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NC2CC(C)(C)NC(C)(C)C2)[nH]1
InChIInChI=1S/C15H26N4S/c1-6-11-17-12(7-13(20)18-11)16-10-8-14(2,3)19-15(4,5)9-10/h7,10,19H,6,8-9H2,1-5H3,(H2,16,17,18,20)
InChIKeyHGQYKFBXNHNUNR-UHFFFAOYSA-N
XLogP3.42
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.42
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-ethyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione (CID 82457211) is 2-ethyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione is CCc1nc(=S)cc(NC2CC(C)(C)NC(C)(C)C2)[nH]1.
What is the InChIKey of 2-ethyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The InChIKey is HGQYKFBXNHNUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-6-11-17-12(7-13(20)18-11)16-10-8-14(2,3)19-15(4,5)9-10/h7,10,19H,6,8-9H2,1-5H3,(H2,16,17,18,20).
What are the key properties of 2-ethyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
2-ethyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione has a molecular weight of 294.47 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).