N-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide

C9H11ClN4O3 — CID 114584185

IUPACN-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCc1nc(Cl)cc(=O)n1CC(=O)NC(N)=O
InChIInChI=1S/C9H11ClN4O3/c1-2-6-12-5(10)3-8(16)14(6)4-7(15)13-9(11)17/h3H,2,4H2,1H3,(H3,11,13,15,17)
InChIKeyWNUIWGAIJKRZKD-UHFFFAOYSA-N
MW258.66 g/mol
LogP-0.35
Rot. Bonds3

About N-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide

N-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 114584185) has the molecular formula C9H11ClN4O3 and a molecular weight of 258.66 g/mol. Its IUPAC name is N-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID114584185
Molecular FormulaC9H11ClN4O3
Molecular Weight258.66 g/mol
Exact Mass258.05
IUPAC NameN-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCc1nc(Cl)cc(=O)n1CC(=O)NC(N)=O
InChIInChI=1S/C9H11ClN4O3/c1-2-6-12-5(10)3-8(16)14(6)4-7(15)13-9(11)17/h3H,2,4H2,1H3,(H3,11,13,15,17)
InChIKeyWNUIWGAIJKRZKD-UHFFFAOYSA-N
XLogP-0.35
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-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-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide (CID 114584185) is N-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide is CCc1nc(Cl)cc(=O)n1CC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is WNUIWGAIJKRZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O3/c1-2-6-12-5(10)3-8(16)14(6)4-7(15)13-9(11)17/h3H,2,4H2,1H3,(H3,11,13,15,17).
What are the key properties of N-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide?
N-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 258.66 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 114584185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).