2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine

C23H35N5 — CID 46962699

IUPAC2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCC(C)c1ncc(CN(Cc2ccccn2)C2CC(C)(C)NC(C)(C)C2)cn1
InChIInChI=1S/C23H35N5/c1-17(2)21-25-13-18(14-26-21)15-28(16-19-9-7-8-10-24-19)20-11-22(3,4)27-23(5,6)12-20/h7-10,13-14,17,20,27H,11-12,15-16H2,1-6H3
InChIKeyLZFYBXNOQNWFQE-UHFFFAOYSA-N
MW381.57 g/mol
LogP4.31
Rot. Bonds6

About 2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine

2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 46962699) has the molecular formula C23H35N5 and a molecular weight of 381.57 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID46962699
Molecular FormulaC23H35N5
Molecular Weight381.57 g/mol
Exact Mass381.29
IUPAC Name2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCC(C)c1ncc(CN(Cc2ccccn2)C2CC(C)(C)NC(C)(C)C2)cn1
InChIInChI=1S/C23H35N5/c1-17(2)21-25-13-18(14-26-21)15-28(16-19-9-7-8-10-24-19)20-11-22(3,4)27-23(5,6)12-20/h7-10,13-14,17,20,27H,11-12,15-16H2,1-6H3
InChIKeyLZFYBXNOQNWFQE-UHFFFAOYSA-N
XLogP4.31
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine (CID 46962699) is 2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine is CC(C)c1ncc(CN(Cc2ccccn2)C2CC(C)(C)NC(C)(C)C2)cn1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is LZFYBXNOQNWFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5/c1-17(2)21-25-13-18(14-26-21)15-28(16-19-9-7-8-10-24-19)20-11-22(3,4)27-23(5,6)12-20/h7-10,13-14,17,20,27H,11-12,15-16H2,1-6H3.
What are the key properties of 2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 381.57 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 46962699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).