6-chloro-5-ethyl-1H-pyrimidine-2,4-dione

C6H7ClN2O2 — CID 11829946

IUPAC6-chloro-5-ethyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(Cl)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H7ClN2O2/c1-2-3-4(7)8-6(11)9-5(3)10/h2H2,1H3,(H2,8,9,10,11)
InChIKeyFGJRVKJHXCITAA-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.28
Rot. Bonds1

About 6-chloro-5-ethyl-1H-pyrimidine-2,4-dione

6-chloro-5-ethyl-1H-pyrimidine-2,4-dione (PubChem CID 11829946) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 6-chloro-5-ethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-ethyl-1H-pyrimidine-2,4-dione
PubChem CID11829946
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name6-chloro-5-ethyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(Cl)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H7ClN2O2/c1-2-3-4(7)8-6(11)9-5(3)10/h2H2,1H3,(H2,8,9,10,11)
InChIKeyFGJRVKJHXCITAA-UHFFFAOYSA-N
XLogP0.28
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-5-ethyl-1H-pyrimidine-2,4-dione 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 6-chloro-5-ethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-ethyl-1H-pyrimidine-2,4-dione (CID 11829946) is 6-chloro-5-ethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-ethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-ethyl-1H-pyrimidine-2,4-dione is CCc1c(Cl)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-chloro-5-ethyl-1H-pyrimidine-2,4-dione?
The InChIKey is FGJRVKJHXCITAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c1-2-3-4(7)8-6(11)9-5(3)10/h2H2,1H3,(H2,8,9,10,11).
What are the key properties of 6-chloro-5-ethyl-1H-pyrimidine-2,4-dione?
6-chloro-5-ethyl-1H-pyrimidine-2,4-dione has a molecular weight of 174.59 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11829946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).