2-chloro-5-(2-fluoroethyl)-4-methoxypyrimidine

C7H8ClFN2O — CID 57396909

IUPAC2-chloro-5-(2-fluoroethyl)-4-methoxypyrimidine
SMILESCOc1nc(Cl)ncc1CCF
InChIInChI=1S/C7H8ClFN2O/c1-12-6-5(2-3-9)4-10-7(8)11-6/h4H,2-3H2,1H3
InChIKeyMHNZWKVLUMHHNW-UHFFFAOYSA-N
MW190.60 g/mol
LogP1.65
Rot. Bonds3

About 2-chloro-5-(2-fluoroethyl)-4-methoxypyrimidine

2-chloro-5-(2-fluoroethyl)-4-methoxypyrimidine (PubChem CID 57396909) has the molecular formula C7H8ClFN2O and a molecular weight of 190.60 g/mol. Its IUPAC name is 2-chloro-5-(2-fluoroethyl)-4-methoxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-(2-fluoroethyl)-4-methoxypyrimidine
PubChem CID57396909
Molecular FormulaC7H8ClFN2O
Molecular Weight190.60 g/mol
Exact Mass190.03
IUPAC Name2-chloro-5-(2-fluoroethyl)-4-methoxypyrimidine
SMILESCOc1nc(Cl)ncc1CCF
InChIInChI=1S/C7H8ClFN2O/c1-12-6-5(2-3-9)4-10-7(8)11-6/h4H,2-3H2,1H3
InChIKeyMHNZWKVLUMHHNW-UHFFFAOYSA-N
XLogP1.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-fluoroethyl)-4-methoxypyrimidine?
The IUPAC name of 2-chloro-5-(2-fluoroethyl)-4-methoxypyrimidine (CID 57396909) is 2-chloro-5-(2-fluoroethyl)-4-methoxypyrimidine.
What is the SMILES notation for 2-chloro-5-(2-fluoroethyl)-4-methoxypyrimidine?
The canonical SMILES for 2-chloro-5-(2-fluoroethyl)-4-methoxypyrimidine is COc1nc(Cl)ncc1CCF.
What is the InChIKey of 2-chloro-5-(2-fluoroethyl)-4-methoxypyrimidine?
The InChIKey is MHNZWKVLUMHHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O/c1-12-6-5(2-3-9)4-10-7(8)11-6/h4H,2-3H2,1H3.
What are the key properties of 2-chloro-5-(2-fluoroethyl)-4-methoxypyrimidine?
2-chloro-5-(2-fluoroethyl)-4-methoxypyrimidine has a molecular weight of 190.60 g/mol, XLogP of 1.65, 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-methoxypyrimidine is sourced from PubChem (CID 57396909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).