5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine

C9H13ClN2O2 — CID 46885143

IUPAC5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine
SMILESCOc1nc(C)c(CCCl)c(OC)n1
InChIInChI=1S/C9H13ClN2O2/c1-6-7(4-5-10)8(13-2)12-9(11-6)14-3/h4-5H2,1-3H3
InChIKeyOWUWTYCMLFRVIT-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.58
Rot. Bonds4

About 5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine

5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine (PubChem CID 46885143) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine.

Molecular Properties

Compound Name5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine
PubChem CID46885143
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine
SMILESCOc1nc(C)c(CCCl)c(OC)n1
InChIInChI=1S/C9H13ClN2O2/c1-6-7(4-5-10)8(13-2)12-9(11-6)14-3/h4-5H2,1-3H3
InChIKeyOWUWTYCMLFRVIT-UHFFFAOYSA-N
XLogP1.58
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-Dimethoxy-6-methylpyrimidin-5-yl)ethanol
CID 46885005
2-(2-Chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol
CID 46885006
5-(2-Fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine
CID 46885008
2-Chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine
CID 46885009
2-(2-Chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate
CID 46885141
2,4-Dimethoxy-5,6-dimethylpyrimidine
CID 11378723
4-(Chloromethyl)-6-methoxy-5-methylpyrimidine
CID 73425097
5-(2,2-Difluoroethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 164908042
4,5-Diethynyl-2,6-dimethoxypyrimidine
CID 10750105
5-Ethyl-4-methoxy-6-(trifluoromethyl)pyrimidine
CID 162583281
4-Ethyl-2,6-dimethoxy-5-propan-2-ylpyrimidine
CID 10656072
5-Ethyl-4-methoxy-6-methylpyrimidin-2-amine
CID 3281098

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine?
The IUPAC name of 5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine (CID 46885143) is 5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine.
What is the SMILES notation for 5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine?
The canonical SMILES for 5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine is COc1nc(C)c(CCCl)c(OC)n1.
What is the InChIKey of 5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine?
The InChIKey is OWUWTYCMLFRVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-6-7(4-5-10)8(13-2)12-9(11-6)14-3/h4-5H2,1-3H3.
What are the key properties of 5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine?
5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine has a molecular weight of 216.67 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-2,4-dimethoxy-6-methylpyrimidine is sourced from PubChem (CID 46885143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).