3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

C11H13ClN4O2 — CID 71970963

IUPAC3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2ncc(Cl)cn2)C1=O
InChIInChI=1S/C11H13ClN4O2/c1-6(2)16-9(17)3-8(10(16)18)15-11-13-4-7(12)5-14-11/h4-6,8H,3H2,1-2H3,(H,13,14,15)
InChIKeyKFPHMLBIJKJETD-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.08
Rot. Bonds3

About 3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 71970963) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID71970963
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(Nc2ncc(Cl)cn2)C1=O
InChIInChI=1S/C11H13ClN4O2/c1-6(2)16-9(17)3-8(10(16)18)15-11-13-4-7(12)5-14-11/h4-6,8H,3H2,1-2H3,(H,13,14,15)
InChIKeyKFPHMLBIJKJETD-UHFFFAOYSA-N
XLogP1.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 71970963) is 3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(Nc2ncc(Cl)cn2)C1=O.
What is the InChIKey of 3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is KFPHMLBIJKJETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-6(2)16-9(17)3-8(10(16)18)15-11-13-4-7(12)5-14-11/h4-6,8H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 268.70 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 71970963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).