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

C21H30N4 — CID 42640854

IUPAC2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC1(C)CC(Nc2ccnc(CCc3ccccc3)n2)CC(C)(C)N1
InChIInChI=1S/C21H30N4/c1-20(2)14-17(15-21(3,4)25-20)23-19-12-13-22-18(24-19)11-10-16-8-6-5-7-9-16/h5-9,12-13,17,25H,10-11,14-15H2,1-4H3,(H,22,23,24)
InChIKeyPPERYICGPXPLJK-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.98
Rot. Bonds5

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

2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 42640854) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID42640854
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC1(C)CC(Nc2ccnc(CCc3ccccc3)n2)CC(C)(C)N1
InChIInChI=1S/C21H30N4/c1-20(2)14-17(15-21(3,4)25-20)23-19-12-13-22-18(24-19)11-10-16-8-6-5-7-9-16/h5-9,12-13,17,25H,10-11,14-15H2,1-4H3,(H,22,23,24)
InChIKeyPPERYICGPXPLJK-UHFFFAOYSA-N
XLogP3.98
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine (CID 42640854) is 2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine is CC1(C)CC(Nc2ccnc(CCc3ccccc3)n2)CC(C)(C)N1.
What is the InChIKey of 2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is PPERYICGPXPLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-20(2)14-17(15-21(3,4)25-20)23-19-12-13-22-18(24-19)11-10-16-8-6-5-7-9-16/h5-9,12-13,17,25H,10-11,14-15H2,1-4H3,(H,22,23,24).
What are the key properties of 2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 338.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 42640854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).