2-chloro-N-piperidin-4-ylpyrimidin-4-amine

HCID 22394489

Notes Reactions

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Basic information

CAS: 945895-43-2
Standard SMILES: Clc1nccc(NC2CCNCC2)n1
InChIKey: MQQOVMZGPYPNNY-UHFFFAOYSA-N
Molecular formula: C9H13ClN4
Average molar mass: 212.68 g/mol
Monoisotopic mass: 212.0828741

Names & identifiers

Preferred name: 2-chloro-N-piperidin-4-ylpyrimidin-4-amine
IUPAC: 2-chloro-N-piperidin-4-ylpyrimidin-4-amine
English name: 2-chloro-N-piperidin-4-ylpyrimidin-4-amine
Molecular formula: C9H13ClN4
Molecular weight: 212.68

Names & synonyms

945895-43-22-chloro-N-piperidin-4-ylpyrimidin-4-amine2-chloro-n-(piperidin-4-yl)pyrimidin-4-amineMFCD09756895SCHEMBL12526894DTXSID5012720652-Chloro-N-4-piperidinyl-4-pyrimidinamineDB-240143EN300-242199804-Pyrimidinamine, 2-chloro-N-4-piperidinyl-

Database identifiers

CAS: 945895-43-2
PubChem CID: 22394489
DTXSID: DTXSID501272065

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 172

Chemistry & industry

Suppliers3 total

Bio-Vin Research Laboratories[email protected]

HDH Pharma, Inc.[email protected]

MATRIX[email protected]

Related reactions

1 records

New reaction record

HRID 209156As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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