4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one

C13H21N5O — CID 106198314

IUPAC4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCCCNc1ncnc(NC2CNC(=O)C2)c1CC
InChIInChI=1S/C13H21N5O/c1-3-5-14-12-10(4-2)13(17-8-16-12)18-9-6-11(19)15-7-9/h8-9H,3-7H2,1-2H3,(H,15,19)(H2,14,16,17,18)
InChIKeyJDCOAFYQPFIPNN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.16
Rot. Bonds6

About 4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one

4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 106198314) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
PubChem CID106198314
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCCCNc1ncnc(NC2CNC(=O)C2)c1CC
InChIInChI=1S/C13H21N5O/c1-3-5-14-12-10(4-2)13(17-8-16-12)18-9-6-11(19)15-7-9/h8-9H,3-7H2,1-2H3,(H,15,19)(H2,14,16,17,18)
InChIKeyJDCOAFYQPFIPNN-UHFFFAOYSA-N
XLogP1.16
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one (CID 106198314) is 4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one is CCCNc1ncnc(NC2CNC(=O)C2)c1CC.
What is the InChIKey of 4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is JDCOAFYQPFIPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-5-14-12-10(4-2)13(17-8-16-12)18-9-6-11(19)15-7-9/h8-9H,3-7H2,1-2H3,(H,15,19)(H2,14,16,17,18).
What are the key properties of 4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one?
4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106198314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).