6-chloro-3-methyl-1-propylpyrimidine-2,4-dione

C8H11ClN2O2 — CID 816933

IUPAC6-chloro-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(Cl)cc(=O)n(C)c1=O
InChIInChI=1S/C8H11ClN2O2/c1-3-4-11-6(9)5-7(12)10(2)8(11)13/h5H,3-4H2,1-2H3
InChIKeyHXXGHKGTYZMJLP-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.61
Rot. Bonds2

About 6-chloro-3-methyl-1-propylpyrimidine-2,4-dione

6-chloro-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 816933) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID816933
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name6-chloro-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(Cl)cc(=O)n(C)c1=O
InChIInChI=1S/C8H11ClN2O2/c1-3-4-11-6(9)5-7(12)10(2)8(11)13/h5H,3-4H2,1-2H3
InChIKeyHXXGHKGTYZMJLP-UHFFFAOYSA-N
XLogP0.61
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-methyl-1-propylpyrimidine-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-propylpyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-methyl-1-propylpyrimidine-2,4-dione (CID 816933) is 6-chloro-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(Cl)cc(=O)n(C)c1=O.
What is the InChIKey of 6-chloro-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is HXXGHKGTYZMJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-3-4-11-6(9)5-7(12)10(2)8(11)13/h5H,3-4H2,1-2H3.
What are the key properties of 6-chloro-3-methyl-1-propylpyrimidine-2,4-dione?
6-chloro-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 202.64 g/mol, XLogP of 0.61, 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-propylpyrimidine-2,4-dione is sourced from PubChem (CID 816933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).