4,6-diethoxy-2-fluoro-5-methylpyrimidine

C9H13FN2O2 — CID 129239001

IUPAC4,6-diethoxy-2-fluoro-5-methylpyrimidine
SMILESCCOc1nc(F)nc(OCC)c1C
InChIInChI=1S/C9H13FN2O2/c1-4-13-7-6(3)8(14-5-2)12-9(10)11-7/h4-5H2,1-3H3
InChIKeyPTXBDDDMBUMPOM-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.72
Rot. Bonds4

About 4,6-diethoxy-2-fluoro-5-methylpyrimidine

4,6-diethoxy-2-fluoro-5-methylpyrimidine (PubChem CID 129239001) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 4,6-diethoxy-2-fluoro-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-diethoxy-2-fluoro-5-methylpyrimidine
PubChem CID129239001
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name4,6-diethoxy-2-fluoro-5-methylpyrimidine
SMILESCCOc1nc(F)nc(OCC)c1C
InChIInChI=1S/C9H13FN2O2/c1-4-13-7-6(3)8(14-5-2)12-9(10)11-7/h4-5H2,1-3H3
InChIKeyPTXBDDDMBUMPOM-UHFFFAOYSA-N
XLogP1.72
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethoxy-2-fluoro-5-methylpyrimidine?
The IUPAC name of 4,6-diethoxy-2-fluoro-5-methylpyrimidine (CID 129239001) is 4,6-diethoxy-2-fluoro-5-methylpyrimidine.
What is the SMILES notation for 4,6-diethoxy-2-fluoro-5-methylpyrimidine?
The canonical SMILES for 4,6-diethoxy-2-fluoro-5-methylpyrimidine is CCOc1nc(F)nc(OCC)c1C.
What is the InChIKey of 4,6-diethoxy-2-fluoro-5-methylpyrimidine?
The InChIKey is PTXBDDDMBUMPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-4-13-7-6(3)8(14-5-2)12-9(10)11-7/h4-5H2,1-3H3.
What are the key properties of 4,6-diethoxy-2-fluoro-5-methylpyrimidine?
4,6-diethoxy-2-fluoro-5-methylpyrimidine has a molecular weight of 200.21 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethoxy-2-fluoro-5-methylpyrimidine is sourced from PubChem (CID 129239001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).