2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine

C15H25ClN4 — CID 82460532

IUPAC2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCCc1cc(NC2CC(C)(C)NC(C)(C)C2)nc(Cl)n1
InChIInChI=1S/C15H25ClN4/c1-6-10-7-12(19-13(16)18-10)17-11-8-14(2,3)20-15(4,5)9-11/h7,11,20H,6,8-9H2,1-5H3,(H,17,18,19)
InChIKeyGGSBEUAONHVXND-UHFFFAOYSA-N
MW296.85 g/mol
LogP3.41
Rot. Bonds3

About 2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine

2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 82460532) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID82460532
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCCc1cc(NC2CC(C)(C)NC(C)(C)C2)nc(Cl)n1
InChIInChI=1S/C15H25ClN4/c1-6-10-7-12(19-13(16)18-10)17-11-8-14(2,3)20-15(4,5)9-11/h7,11,20H,6,8-9H2,1-5H3,(H,17,18,19)
InChIKeyGGSBEUAONHVXND-UHFFFAOYSA-N
XLogP3.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine (CID 82460532) is 2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine is CCc1cc(NC2CC(C)(C)NC(C)(C)C2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is GGSBEUAONHVXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-6-10-7-12(19-13(16)18-10)17-11-8-14(2,3)20-15(4,5)9-11/h7,11,20H,6,8-9H2,1-5H3,(H,17,18,19).
What are the key properties of 2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 296.85 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 82460532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).