3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid

C11H15ClN4O2 — CID 89401167

IUPAC3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid
SMILESCc1cnc(Cl)nc1NC1CCCN(C(=O)O)C1
InChIInChI=1S/C11H15ClN4O2/c1-7-5-13-10(12)15-9(7)14-8-3-2-4-16(6-8)11(17)18/h5,8H,2-4,6H2,1H3,(H,17,18)(H,13,14,15)
InChIKeyFTDGANNGQXCQNE-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.99
Rot. Bonds2

About 3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid

3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid (PubChem CID 89401167) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid
PubChem CID89401167
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid
SMILESCc1cnc(Cl)nc1NC1CCCN(C(=O)O)C1
InChIInChI=1S/C11H15ClN4O2/c1-7-5-13-10(12)15-9(7)14-8-3-2-4-16(6-8)11(17)18/h5,8H,2-4,6H2,1H3,(H,17,18)(H,13,14,15)
InChIKeyFTDGANNGQXCQNE-UHFFFAOYSA-N
XLogP1.99
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid (CID 89401167) is 3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid is Cc1cnc(Cl)nc1NC1CCCN(C(=O)O)C1.
What is the InChIKey of 3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid?
The InChIKey is FTDGANNGQXCQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-7-5-13-10(12)15-9(7)14-8-3-2-4-16(6-8)11(17)18/h5,8H,2-4,6H2,1H3,(H,17,18)(H,13,14,15).
What are the key properties of 3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid?
3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid has a molecular weight of 270.72 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 89401167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).