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

C16H28N4S — CID 82457272

IUPAC2-propan-2-yl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
SMILESCC(C)c1nc(=S)cc(NC2CC(C)(C)NC(C)(C)C2)[nH]1
InChIInChI=1S/C16H28N4S/c1-10(2)14-18-12(7-13(21)19-14)17-11-8-15(3,4)20-16(5,6)9-11/h7,10-11,20H,8-9H2,1-6H3,(H2,17,18,19,21)
InChIKeyRILOARNZYYEMQU-UHFFFAOYSA-N
MW308.50 g/mol
LogP3.98
Rot. Bonds3

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

2-propan-2-yl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione (PubChem CID 82457272) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is 2-propan-2-yl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-propan-2-yl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
PubChem CID82457272
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC Name2-propan-2-yl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
SMILESCC(C)c1nc(=S)cc(NC2CC(C)(C)NC(C)(C)C2)[nH]1
InChIInChI=1S/C16H28N4S/c1-10(2)14-18-12(7-13(21)19-14)17-11-8-15(3,4)20-16(5,6)9-11/h7,10-11,20H,8-9H2,1-6H3,(H2,17,18,19,21)
InChIKeyRILOARNZYYEMQU-UHFFFAOYSA-N
XLogP3.98
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 53.98
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-propan-2-yl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The IUPAC name of 2-propan-2-yl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione (CID 82457272) is 2-propan-2-yl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-propan-2-yl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The canonical SMILES for 2-propan-2-yl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione is CC(C)c1nc(=S)cc(NC2CC(C)(C)NC(C)(C)C2)[nH]1.
What is the InChIKey of 2-propan-2-yl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The InChIKey is RILOARNZYYEMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-10(2)14-18-12(7-13(21)19-14)17-11-8-15(3,4)20-16(5,6)9-11/h7,10-11,20H,8-9H2,1-6H3,(H2,17,18,19,21).
What are the key properties of 2-propan-2-yl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
2-propan-2-yl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione has a molecular weight of 308.50 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).