6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione

C7H9ClN2O2 — CID 816934

IUPAC6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione
SMILESCCn1c(Cl)cc(=O)n(C)c1=O
InChIInChI=1S/C7H9ClN2O2/c1-3-10-5(8)4-6(11)9(2)7(10)12/h4H,3H2,1-2H3
InChIKeyITEBXHYGZUWSIH-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.22
Rot. Bonds1

About 6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione

6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione (PubChem CID 816934) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione
PubChem CID816934
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione
SMILESCCn1c(Cl)cc(=O)n(C)c1=O
InChIInChI=1S/C7H9ClN2O2/c1-3-10-5(8)4-6(11)9(2)7(10)12/h4H,3H2,1-2H3
InChIKeyITEBXHYGZUWSIH-UHFFFAOYSA-N
XLogP0.22
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione (CID 816934) is 6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione is CCn1c(Cl)cc(=O)n(C)c1=O.
What is the InChIKey of 6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione?
The InChIKey is ITEBXHYGZUWSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-3-10-5(8)4-6(11)9(2)7(10)12/h4H,3H2,1-2H3.
What are the key properties of 6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione?
6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione has a molecular weight of 188.61 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 816934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).