4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one

C13H21N5O2 — CID 106198301

IUPAC4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCCNc1cc(NC2CNC(=O)C2)nc(COCC)n1
InChIInChI=1S/C13H21N5O2/c1-3-14-10-6-11(16-9-5-13(19)15-7-9)18-12(17-10)8-20-4-2/h6,9H,3-5,7-8H2,1-2H3,(H,15,19)(H2,14,16,17,18)
InChIKeyLQWFTZXBBFWDEQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.75
Rot. Bonds7

About 4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one

4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 106198301) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
PubChem CID106198301
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCCNc1cc(NC2CNC(=O)C2)nc(COCC)n1
InChIInChI=1S/C13H21N5O2/c1-3-14-10-6-11(16-9-5-13(19)15-7-9)18-12(17-10)8-20-4-2/h6,9H,3-5,7-8H2,1-2H3,(H,15,19)(H2,14,16,17,18)
InChIKeyLQWFTZXBBFWDEQ-UHFFFAOYSA-N
XLogP0.75
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one (CID 106198301) is 4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one is CCNc1cc(NC2CNC(=O)C2)nc(COCC)n1.
What is the InChIKey of 4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is LQWFTZXBBFWDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-14-10-6-11(16-9-5-13(19)15-7-9)18-12(17-10)8-20-4-2/h6,9H,3-5,7-8H2,1-2H3,(H,15,19)(H2,14,16,17,18).
What are the key properties of 4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one?
4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 279.34 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106198301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).