1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid

C10H13ClN4O2 — CID 18801422

IUPAC1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1cnc(Cl)nc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H13ClN4O2/c11-10-13-5-7(12)8(14-10)15-3-1-6(2-4-15)9(16)17/h5-6H,1-4,12H2,(H,16,17)
InChIKeyZBHGNKQLCSSUJR-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.01
Rot. Bonds2

About 1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid

1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 18801422) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID18801422
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1cnc(Cl)nc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H13ClN4O2/c11-10-13-5-7(12)8(14-10)15-3-1-6(2-4-15)9(16)17/h5-6H,1-4,12H2,(H,16,17)
InChIKeyZBHGNKQLCSSUJR-UHFFFAOYSA-N
XLogP1.01
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid (CID 18801422) is 1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid is Nc1cnc(Cl)nc1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is ZBHGNKQLCSSUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-10-13-5-7(12)8(14-10)15-3-1-6(2-4-15)9(16)17/h5-6H,1-4,12H2,(H,16,17).
What are the key properties of 1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 256.69 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 18801422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).