5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid

C13H20N4O2 — CID 62087226

IUPAC5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(N2CCCC(N)C2)c(C(=O)O)n1
InChIInChI=1S/C13H20N4O2/c1-8(2)12-15-6-10(11(16-12)13(18)19)17-5-3-4-9(14)7-17/h6,8-9H,3-5,7,14H2,1-2H3,(H,18,19)
InChIKeyQXPCBOMXBUDFNH-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.23
Rot. Bonds3

About 5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid

5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62087226) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62087226
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(N2CCCC(N)C2)c(C(=O)O)n1
InChIInChI=1S/C13H20N4O2/c1-8(2)12-15-6-10(11(16-12)13(18)19)17-5-3-4-9(14)7-17/h6,8-9H,3-5,7,14H2,1-2H3,(H,18,19)
InChIKeyQXPCBOMXBUDFNH-UHFFFAOYSA-N
XLogP1.23
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62087226) is 5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(N2CCCC(N)C2)c(C(=O)O)n1.
What is the InChIKey of 5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is QXPCBOMXBUDFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(2)12-15-6-10(11(16-12)13(18)19)17-5-3-4-9(14)7-17/h6,8-9H,3-5,7,14H2,1-2H3,(H,18,19).
What are the key properties of 5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopiperidin-1-yl)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62087226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).