4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine

C6H6ClFN2O — CID 84819874

IUPAC4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine
SMILESCOc1nc(C)nc(Cl)c1F
InChIInChI=1S/C6H6ClFN2O/c1-3-9-5(7)4(8)6(10-3)11-2/h1-2H3
InChIKeyQTRSJEUSZYTWET-UHFFFAOYSA-N
MW176.58 g/mol
LogP1.59
Rot. Bonds1

About 4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine

4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine (PubChem CID 84819874) has the molecular formula C6H6ClFN2O and a molecular weight of 176.58 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine
PubChem CID84819874
Molecular FormulaC6H6ClFN2O
Molecular Weight176.58 g/mol
Exact Mass176.02
IUPAC Name4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine
SMILESCOc1nc(C)nc(Cl)c1F
InChIInChI=1S/C6H6ClFN2O/c1-3-9-5(7)4(8)6(10-3)11-2/h1-2H3
InChIKeyQTRSJEUSZYTWET-UHFFFAOYSA-N
XLogP1.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.58
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine (CID 84819874) is 4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine is COc1nc(C)nc(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine?
The InChIKey is QTRSJEUSZYTWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O/c1-3-9-5(7)4(8)6(10-3)11-2/h1-2H3.
What are the key properties of 4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine?
4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine has a molecular weight of 176.58 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-methoxy-2-methylpyrimidine is sourced from PubChem (CID 84819874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).