N,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide

C13H19N3O2 — CID 146089781

IUPACN,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1cnc2c(c1=O)CCC2
InChIInChI=1S/C13H19N3O2/c1-3-15(4-2)12(17)8-16-9-14-11-7-5-6-10(11)13(16)18/h9H,3-8H2,1-2H3
InChIKeyDZOURRMBZWMOKG-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.60
Rot. Bonds4

About N,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide

N,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide (PubChem CID 146089781) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
PubChem CID146089781
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1cnc2c(c1=O)CCC2
InChIInChI=1S/C13H19N3O2/c1-3-15(4-2)12(17)8-16-9-14-11-7-5-6-10(11)13(16)18/h9H,3-8H2,1-2H3
InChIKeyDZOURRMBZWMOKG-UHFFFAOYSA-N
XLogP0.60
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide 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 N,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide (CID 146089781) is N,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide is CCN(CC)C(=O)Cn1cnc2c(c1=O)CCC2.
What is the InChIKey of N,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
The InChIKey is DZOURRMBZWMOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-15(4-2)12(17)8-16-9-14-11-7-5-6-10(11)13(16)18/h9H,3-8H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
N,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 146089781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).