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

C13H22N4S — CID 82457084

IUPAC6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
SMILESCC1(C)CC(Nc2cc(=S)nc[nH]2)CC(C)(C)N1
InChIInChI=1S/C13H22N4S/c1-12(2)6-9(7-13(3,4)17-12)16-10-5-11(18)15-8-14-10/h5,8-9,17H,6-7H2,1-4H3,(H2,14,15,16,18)
InChIKeyXRZUWTQSNJHNDO-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.86
Rot. Bonds2

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

6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione (PubChem CID 82457084) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
PubChem CID82457084
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
SMILESCC1(C)CC(Nc2cc(=S)nc[nH]2)CC(C)(C)N1
InChIInChI=1S/C13H22N4S/c1-12(2)6-9(7-13(3,4)17-12)16-10-5-11(18)15-8-14-10/h5,8-9,17H,6-7H2,1-4H3,(H2,14,15,16,18)
InChIKeyXRZUWTQSNJHNDO-UHFFFAOYSA-N
XLogP2.86
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.86
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 6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The IUPAC name of 6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione (CID 82457084) is 6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione is CC1(C)CC(Nc2cc(=S)nc[nH]2)CC(C)(C)N1.
What is the InChIKey of 6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The InChIKey is XRZUWTQSNJHNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-12(2)6-9(7-13(3,4)17-12)16-10-5-11(18)15-8-14-10/h5,8-9,17H,6-7H2,1-4H3,(H2,14,15,16,18).
What are the key properties of 6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione has a molecular weight of 266.41 g/mol, XLogP of 2.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).