6-chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione

C8H9ClN2O2 — CID 4064109

IUPAC6-chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(Cl)cc(=O)n(C)c1=O
InChIInChI=1S/C8H9ClN2O2/c1-3-4-11-6(9)5-7(12)10(2)8(11)13/h3,5H,1,4H2,2H3
InChIKeyXDSLNIACVFOTGT-UHFFFAOYSA-N
MW200.62 g/mol
LogP0.39
Rot. Bonds2

About 6-chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione

6-chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 4064109) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID4064109
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name6-chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(Cl)cc(=O)n(C)c1=O
InChIInChI=1S/C8H9ClN2O2/c1-3-4-11-6(9)5-7(12)10(2)8(11)13/h3,5H,1,4H2,2H3
InChIKeyXDSLNIACVFOTGT-UHFFFAOYSA-N
XLogP0.39
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-chloro-3-methyl-1-prop-2-enylpyrimidine-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-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione (CID 4064109) is 6-chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(Cl)cc(=O)n(C)c1=O.
What is the InChIKey of 6-chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is XDSLNIACVFOTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-3-4-11-6(9)5-7(12)10(2)8(11)13/h3,5H,1,4H2,2H3.
What are the key properties of 6-chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione?
6-chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 200.62 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 4064109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).