5-fluoro-2,4,6-trimethoxypyrimidine

C7H9FN2O3 — CID 71349957

IUPAC5-fluoro-2,4,6-trimethoxypyrimidine
SMILESCOc1nc(OC)c(F)c(OC)n1
InChIInChI=1S/C7H9FN2O3/c1-11-5-4(8)6(12-2)10-7(9-5)13-3/h1-3H3
InChIKeyMYKGZGJNOOEACI-UHFFFAOYSA-N
MW188.16 g/mol
LogP0.64
Rot. Bonds3

About 5-fluoro-2,4,6-trimethoxypyrimidine

5-fluoro-2,4,6-trimethoxypyrimidine (PubChem CID 71349957) has the molecular formula C7H9FN2O3 and a molecular weight of 188.16 g/mol. Its IUPAC name is 5-fluoro-2,4,6-trimethoxypyrimidine.

Molecular Properties

Compound Name5-fluoro-2,4,6-trimethoxypyrimidine
PubChem CID71349957
Molecular FormulaC7H9FN2O3
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC Name5-fluoro-2,4,6-trimethoxypyrimidine
SMILESCOc1nc(OC)c(F)c(OC)n1
InChIInChI=1S/C7H9FN2O3/c1-11-5-4(8)6(12-2)10-7(9-5)13-3/h1-3H3
InChIKeyMYKGZGJNOOEACI-UHFFFAOYSA-N
XLogP0.64
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4,6-trimethoxypyrimidine?
The IUPAC name of 5-fluoro-2,4,6-trimethoxypyrimidine (CID 71349957) is 5-fluoro-2,4,6-trimethoxypyrimidine.
What is the SMILES notation for 5-fluoro-2,4,6-trimethoxypyrimidine?
The canonical SMILES for 5-fluoro-2,4,6-trimethoxypyrimidine is COc1nc(OC)c(F)c(OC)n1.
What is the InChIKey of 5-fluoro-2,4,6-trimethoxypyrimidine?
The InChIKey is MYKGZGJNOOEACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3/c1-11-5-4(8)6(12-2)10-7(9-5)13-3/h1-3H3.
What are the key properties of 5-fluoro-2,4,6-trimethoxypyrimidine?
5-fluoro-2,4,6-trimethoxypyrimidine has a molecular weight of 188.16 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4,6-trimethoxypyrimidine is sourced from PubChem (CID 71349957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).