3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione

C9H10ClN5O2 — CID 114043881

IUPAC3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione
SMILESNc1cnc(Cl)nc1NC1CCC(=O)NC1=O
InChIInChI=1S/C9H10ClN5O2/c10-9-12-3-4(11)7(15-9)13-5-1-2-6(16)14-8(5)17/h3,5H,1-2,11H2,(H,12,13,15)(H,14,16,17)
InChIKeyKDFVKWKYKHWLJR-UHFFFAOYSA-N
MW255.66 g/mol
LogP-0.07
Rot. Bonds2

About 3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione

3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione (PubChem CID 114043881) has the molecular formula C9H10ClN5O2 and a molecular weight of 255.66 g/mol. Its IUPAC name is 3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione
PubChem CID114043881
Molecular FormulaC9H10ClN5O2
Molecular Weight255.66 g/mol
Exact Mass255.05
IUPAC Name3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione
SMILESNc1cnc(Cl)nc1NC1CCC(=O)NC1=O
InChIInChI=1S/C9H10ClN5O2/c10-9-12-3-4(11)7(15-9)13-5-1-2-6(16)14-8(5)17/h3,5H,1-2,11H2,(H,12,13,15)(H,14,16,17)
InChIKeyKDFVKWKYKHWLJR-UHFFFAOYSA-N
XLogP-0.07
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione (CID 114043881) is 3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione is Nc1cnc(Cl)nc1NC1CCC(=O)NC1=O.
What is the InChIKey of 3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione?
The InChIKey is KDFVKWKYKHWLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O2/c10-9-12-3-4(11)7(15-9)13-5-1-2-6(16)14-8(5)17/h3,5H,1-2,11H2,(H,12,13,15)(H,14,16,17).
What are the key properties of 3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione?
3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione has a molecular weight of 255.66 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-chloropyrimidin-4-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 114043881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).