4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one

C11H16N4O2 — CID 114156242

IUPAC4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCCOc1cc(NC2CNC(=O)C2)ncn1
InChIInChI=1S/C11H16N4O2/c1-2-3-17-11-5-9(13-7-14-11)15-8-4-10(16)12-6-8/h5,7-8H,2-4,6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyUKATYEHPQXBTPT-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.57
Rot. Bonds5

About 4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one

4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 114156242) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID114156242
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCCOc1cc(NC2CNC(=O)C2)ncn1
InChIInChI=1S/C11H16N4O2/c1-2-3-17-11-5-9(13-7-14-11)15-8-4-10(16)12-6-8/h5,7-8H,2-4,6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyUKATYEHPQXBTPT-UHFFFAOYSA-N
XLogP0.57
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one (CID 114156242) is 4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one is CCCOc1cc(NC2CNC(=O)C2)ncn1.
What is the InChIKey of 4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is UKATYEHPQXBTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-3-17-11-5-9(13-7-14-11)15-8-4-10(16)12-6-8/h5,7-8H,2-4,6H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of 4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one?
4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 114156242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).