6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one

C8H11ClN2O2 — CID 114581850

IUPAC6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one
SMILESCCOCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C8H11ClN2O2/c1-3-13-5-11-6(2)10-7(9)4-8(11)12/h4H,3,5H2,1-2H3
InChIKeyZLHWRHMASRMOFK-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.20
Rot. Bonds3

About 6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one

6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one (PubChem CID 114581850) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one
PubChem CID114581850
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one
SMILESCCOCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C8H11ClN2O2/c1-3-13-5-11-6(2)10-7(9)4-8(11)12/h4H,3,5H2,1-2H3
InChIKeyZLHWRHMASRMOFK-UHFFFAOYSA-N
XLogP1.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815
6-chloro-3-(2-ethylbutyl)-2-methylpyrimidin-4-one
CID 114582003
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 114581924
6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581683
6-chloro-2-methyl-3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 114581731
6-chloro-3-(3-ethoxypropyl)-2-ethylpyrimidin-4-one
CID 114584383
6-chloro-3-[(4-iodophenyl)methyl]-2-methylpyrimidin-4-one
CID 114581841
6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one
CID 114581993
6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
CID 114581824
6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one
CID 114581801
6-chloro-2-methyl-3-pent-4-enylpyrimidin-4-one
CID 114581760
3-[(2-bromo-5-methoxyphenyl)methyl]-6-chloro-2-methylpyrimidin-4-one
CID 114581792

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one (CID 114581850) is 6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one is CCOCn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one?
The InChIKey is ZLHWRHMASRMOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-3-13-5-11-6(2)10-7(9)4-8(11)12/h4H,3,5H2,1-2H3.
What are the key properties of 6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one?
6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one has a molecular weight of 202.64 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).