4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine

C9H12ClFN2O — CID 66000031

IUPAC4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine
SMILESCCOC(C)c1nc(C)c(F)c(Cl)n1
InChIInChI=1S/C9H12ClFN2O/c1-4-14-6(3)9-12-5(2)7(11)8(10)13-9/h6H,4H2,1-3H3
InChIKeyVFTIKCJBOBKNFB-UHFFFAOYSA-N
MW218.66 g/mol
LogP2.68
Rot. Bonds3

About 4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine

4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine (PubChem CID 66000031) has the molecular formula C9H12ClFN2O and a molecular weight of 218.66 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine
PubChem CID66000031
Molecular FormulaC9H12ClFN2O
Molecular Weight218.66 g/mol
Exact Mass218.06
IUPAC Name4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine
SMILESCCOC(C)c1nc(C)c(F)c(Cl)n1
InChIInChI=1S/C9H12ClFN2O/c1-4-14-6(3)9-12-5(2)7(11)8(10)13-9/h6H,4H2,1-3H3
InChIKeyVFTIKCJBOBKNFB-UHFFFAOYSA-N
XLogP2.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine (CID 66000031) is 4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine is CCOC(C)c1nc(C)c(F)c(Cl)n1.
What is the InChIKey of 4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine?
The InChIKey is VFTIKCJBOBKNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O/c1-4-14-6(3)9-12-5(2)7(11)8(10)13-9/h6H,4H2,1-3H3.
What are the key properties of 4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine?
4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine has a molecular weight of 218.66 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 66000031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).