2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid

C11H13N3O4 — CID 66490570

IUPAC2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)nc(N2CCCCC2)n1
InChIInChI=1S/C11H13N3O4/c15-9(16)7-6-8(10(17)18)13-11(12-7)14-4-2-1-3-5-14/h6H,1-5H2,(H,15,16)(H,17,18)
InChIKeyYETRLWZTGHMSJQ-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.86
Rot. Bonds3

About 2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid

2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid (PubChem CID 66490570) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid.

Molecular Properties

Compound Name2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid
PubChem CID66490570
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)nc(N2CCCCC2)n1
InChIInChI=1S/C11H13N3O4/c15-9(16)7-6-8(10(17)18)13-11(12-7)14-4-2-1-3-5-14/h6H,1-5H2,(H,15,16)(H,17,18)
InChIKeyYETRLWZTGHMSJQ-UHFFFAOYSA-N
XLogP0.86
TPSA103.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid
CID 83852710
6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
CID 83852915
6-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
CID 83852679
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
4-piperidin-1-ylquinoline-2-carboxylic acid
CID 55222187
methyl 6-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxylate
CID 87349798
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331556
6-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 68516488
6-methyl-2-(3-oxo-1,4-diazepan-1-yl)pyrimidine-4-carboxylic acid
CID 114219796
2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 131107872
1-pyrrolidin-1-ylisoquinoline-3-carboxylic acid
CID 43343329
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid?
The IUPAC name of 2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid (CID 66490570) is 2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid.
What is the SMILES notation for 2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid?
The canonical SMILES for 2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid is O=C(O)c1cc(C(=O)O)nc(N2CCCCC2)n1.
What is the InChIKey of 2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid?
The InChIKey is YETRLWZTGHMSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-9(16)7-6-8(10(17)18)13-11(12-7)14-4-2-1-3-5-14/h6H,1-5H2,(H,15,16)(H,17,18).
What are the key properties of 2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid?
2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid is sourced from PubChem (CID 66490570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).