6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione

C12H19FN2O2 — CID 10966697

IUPAC6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione
SMILESCCCn1c(CC)c(F)c(=O)n(CCC)c1=O
InChIInChI=1S/C12H19FN2O2/c1-4-7-14-9(6-3)10(13)11(16)15(8-5-2)12(14)17/h4-8H2,1-3H3
InChIKeyGXOGIVZXVJEWRN-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.53
Rot. Bonds5

About 6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione

6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione (PubChem CID 10966697) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione
PubChem CID10966697
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione
SMILESCCCn1c(CC)c(F)c(=O)n(CCC)c1=O
InChIInChI=1S/C12H19FN2O2/c1-4-7-14-9(6-3)10(13)11(16)15(8-5-2)12(14)17/h4-8H2,1-3H3
InChIKeyGXOGIVZXVJEWRN-UHFFFAOYSA-N
XLogP1.53
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione?
The IUPAC name of 6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione (CID 10966697) is 6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione.
What is the SMILES notation for 6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione?
The canonical SMILES for 6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione is CCCn1c(CC)c(F)c(=O)n(CCC)c1=O.
What is the InChIKey of 6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione?
The InChIKey is GXOGIVZXVJEWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-4-7-14-9(6-3)10(13)11(16)15(8-5-2)12(14)17/h4-8H2,1-3H3.
What are the key properties of 6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione?
6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione has a molecular weight of 242.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-1,3-dipropylpyrimidine-2,4-dione is sourced from PubChem (CID 10966697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).