5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione

C9H13ClN2O2 — CID 165398099

IUPAC5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(Cl)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H13ClN2O2/c1-5(2)7-6(10)8(13)12(4)9(14)11(7)3/h5H,1-4H3
InChIKeyJGDKAJLPZUICFX-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.86
Rot. Bonds1

About 5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione

5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione (PubChem CID 165398099) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione
PubChem CID165398099
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(Cl)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H13ClN2O2/c1-5(2)7-6(10)8(13)12(4)9(14)11(7)3/h5H,1-4H3
InChIKeyJGDKAJLPZUICFX-UHFFFAOYSA-N
XLogP0.86
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-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 5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione (CID 165398099) is 5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione is CC(C)c1c(Cl)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is JGDKAJLPZUICFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-5(2)7-6(10)8(13)12(4)9(14)11(7)3/h5H,1-4H3.
What are the key properties of 5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione?
5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 216.67 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-6-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 165398099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).