6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione

C8H11ClN2O3 — CID 66573394

IUPAC6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione
SMILESCCOCn1c(Cl)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H11ClN2O3/c1-3-14-4-11-6(9)5(2)7(12)10-8(11)13/h3-4H2,1-2H3,(H,10,12,13)
InChIKeyFAIVILUVGZKAGA-UHFFFAOYSA-N
MW218.64 g/mol
LogP0.49
Rot. Bonds3

About 6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione

6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione (PubChem CID 66573394) has the molecular formula C8H11ClN2O3 and a molecular weight of 218.64 g/mol. Its IUPAC name is 6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione
PubChem CID66573394
Molecular FormulaC8H11ClN2O3
Molecular Weight218.64 g/mol
Exact Mass218.05
IUPAC Name6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione
SMILESCCOCn1c(Cl)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H11ClN2O3/c1-3-14-4-11-6(9)5(2)7(12)10-8(11)13/h3-4H2,1-2H3,(H,10,12,13)
InChIKeyFAIVILUVGZKAGA-UHFFFAOYSA-N
XLogP0.49
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione (CID 66573394) is 6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione is CCOCn1c(Cl)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is FAIVILUVGZKAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3/c1-3-14-4-11-6(9)5(2)7(12)10-8(11)13/h3-4H2,1-2H3,(H,10,12,13).
What are the key properties of 6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione?
6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 218.64 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 66573394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).