5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione

C10H13FN2O3 — CID 81106376

IUPAC5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCCF)c(=O)n(C)c1=O
InChIInChI=1S/C10H13FN2O3/c1-7(14)8-6-13(5-3-4-11)10(16)12(2)9(8)15/h6H,3-5H2,1-2H3
InChIKeyCNEVBKADTZQKBT-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.11
Rot. Bonds4

About 5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione

5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione (PubChem CID 81106376) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione
PubChem CID81106376
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCCF)c(=O)n(C)c1=O
InChIInChI=1S/C10H13FN2O3/c1-7(14)8-6-13(5-3-4-11)10(16)12(2)9(8)15/h6H,3-5H2,1-2H3
InChIKeyCNEVBKADTZQKBT-UHFFFAOYSA-N
XLogP0.11
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione (CID 81106376) is 5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione is CC(=O)c1cn(CCCF)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is CNEVBKADTZQKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-7(14)8-6-13(5-3-4-11)10(16)12(2)9(8)15/h6H,3-5H2,1-2H3.
What are the key properties of 5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione?
5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 228.22 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 81106376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).