5-chloro-1,3,6-trimethylpyrimidine-2,4-dione

C7H9ClN2O2 — CID 12699241

IUPAC5-chloro-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(Cl)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C7H9ClN2O2/c1-4-5(8)6(11)10(3)7(12)9(4)2/h1-3H3
InChIKeyVYAMDOIJTLLXFE-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.05
Rot. Bonds

About 5-chloro-1,3,6-trimethylpyrimidine-2,4-dione

5-chloro-1,3,6-trimethylpyrimidine-2,4-dione (PubChem CID 12699241) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 5-chloro-1,3,6-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1,3,6-trimethylpyrimidine-2,4-dione
PubChem CID12699241
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name5-chloro-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(Cl)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C7H9ClN2O2/c1-4-5(8)6(11)10(3)7(12)9(4)2/h1-3H3
InChIKeyVYAMDOIJTLLXFE-UHFFFAOYSA-N
XLogP0.05
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3,6-trimethylpyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1,3,6-trimethylpyrimidine-2,4-dione (CID 12699241) is 5-chloro-1,3,6-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1,3,6-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1,3,6-trimethylpyrimidine-2,4-dione is Cc1c(Cl)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 5-chloro-1,3,6-trimethylpyrimidine-2,4-dione?
The InChIKey is VYAMDOIJTLLXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-4-5(8)6(11)10(3)7(12)9(4)2/h1-3H3.
What are the key properties of 5-chloro-1,3,6-trimethylpyrimidine-2,4-dione?
5-chloro-1,3,6-trimethylpyrimidine-2,4-dione has a molecular weight of 188.61 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3,6-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 12699241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).