2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid

C14H22N4O2 — CID 69475835

IUPAC2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)nc(N2CCC(N)CC2)n1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)11-8-10(12(19)20)16-13(17-11)18-6-4-9(15)5-7-18/h8-9H,4-7,15H2,1-3H3,(H,19,20)
InChIKeyWEBGKJKTCJVKCD-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.40
Rot. Bonds2

About 2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid

2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid (PubChem CID 69475835) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid
PubChem CID69475835
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)nc(N2CCC(N)CC2)n1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)11-8-10(12(19)20)16-13(17-11)18-6-4-9(15)5-7-18/h8-9H,4-7,15H2,1-3H3,(H,19,20)
InChIKeyWEBGKJKTCJVKCD-UHFFFAOYSA-N
XLogP1.40
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid (CID 69475835) is 2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid is CC(C)(C)c1cc(C(=O)O)nc(N2CCC(N)CC2)n1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid?
The InChIKey is WEBGKJKTCJVKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)11-8-10(12(19)20)16-13(17-11)18-6-4-9(15)5-7-18/h8-9H,4-7,15H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid?
2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-6-tert-butylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 69475835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).