2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine

C8H10ClFN2O — CID 46885009

IUPAC2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine
SMILESCOc1nc(Cl)nc(C)c1CCF
InChIInChI=1S/C8H10ClFN2O/c1-5-6(3-4-10)7(13-2)12-8(9)11-5/h3-4H2,1-2H3
InChIKeyONZKHZKCSRAVFA-UHFFFAOYSA-N
MW204.63 g/mol
LogP1.96
Rot. Bonds3

About 2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine

2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine (PubChem CID 46885009) has the molecular formula C8H10ClFN2O and a molecular weight of 204.63 g/mol. Its IUPAC name is 2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine
PubChem CID46885009
Molecular FormulaC8H10ClFN2O
Molecular Weight204.63 g/mol
Exact Mass204.05
IUPAC Name2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine
SMILESCOc1nc(Cl)nc(C)c1CCF
InChIInChI=1S/C8H10ClFN2O/c1-5-6(3-4-10)7(13-2)12-8(9)11-5/h3-4H2,1-2H3
InChIKeyONZKHZKCSRAVFA-UHFFFAOYSA-N
XLogP1.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
CID 755539
2-(2,4-Dimethoxy-6-methylpyrimidin-5-yl)ethanol
CID 46885005
2-(2-Chloro-4-methoxy-6-methylpyrimidin-5-yl)ethanol
CID 46885006
2-Methoxy-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 46885007
5-(2-Fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine
CID 46885008
2-(2,4-Dimethoxy-6-methylpyrimidin-5-yl)ethyl acetate
CID 46885140
2-(2-Chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate
CID 46885141
5-(2-Chloroethyl)-2,4-dimethoxy-6-methylpyrimidine
CID 46885143
2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine
CID 58252332
4-Ethoxy-2,5,6-trimethylpyrimidine
CID 11062766
2,4-Dimethoxy-5,6-dimethylpyrimidine
CID 11378723
5-Ethynyl-4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidine
CID 12151206

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine?
The IUPAC name of 2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine (CID 46885009) is 2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine?
The canonical SMILES for 2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine is COc1nc(Cl)nc(C)c1CCF.
What is the InChIKey of 2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine?
The InChIKey is ONZKHZKCSRAVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O/c1-5-6(3-4-10)7(13-2)12-8(9)11-5/h3-4H2,1-2H3.
What are the key properties of 2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine?
2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine has a molecular weight of 204.63 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine is sourced from PubChem (CID 46885009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).