1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide

C11H16N4O2 — CID 136954395

IUPAC1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCCc1nc(N2CCC(C(N)=O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c1-2-8-13-9(5-10(16)14-8)15-4-3-7(6-15)11(12)17/h5,7H,2-4,6H2,1H3,(H2,12,17)(H,13,14,16)
InChIKeyISUQGXVFEFCQGJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.36
Rot. Bonds3

About 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide

1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 136954395) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID136954395
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCCc1nc(N2CCC(C(N)=O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O2/c1-2-8-13-9(5-10(16)14-8)15-4-3-7(6-15)11(12)17/h5,7H,2-4,6H2,1H3,(H2,12,17)(H,13,14,16)
InChIKeyISUQGXVFEFCQGJ-UHFFFAOYSA-N
XLogP-0.36
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide 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 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 136954395) is 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide is CCc1nc(N2CCC(C(N)=O)C2)cc(=O)[nH]1.
What is the InChIKey of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is ISUQGXVFEFCQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-8-13-9(5-10(16)14-8)15-4-3-7(6-15)11(12)17/h5,7H,2-4,6H2,1H3,(H2,12,17)(H,13,14,16).
What are the key properties of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 136954395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).