1,3-diacetyl-5-fluoropyrimidine-2,4-dione

C8H7FN2O4 — CID 10262657

IUPAC1,3-diacetyl-5-fluoropyrimidine-2,4-dione
SMILESCC(=O)n1cc(F)c(=O)n(C(C)=O)c1=O
InChIInChI=1S/C8H7FN2O4/c1-4(12)10-3-6(9)7(14)11(5(2)13)8(10)15/h3H,1-2H3
InChIKeyPNPZIWCKOWTFFO-UHFFFAOYSA-N
MW214.15 g/mol
LogP-0.53
Rot. Bonds

About 1,3-diacetyl-5-fluoropyrimidine-2,4-dione

1,3-diacetyl-5-fluoropyrimidine-2,4-dione (PubChem CID 10262657) has the molecular formula C8H7FN2O4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 1,3-diacetyl-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-diacetyl-5-fluoropyrimidine-2,4-dione
PubChem CID10262657
Molecular FormulaC8H7FN2O4
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name1,3-diacetyl-5-fluoropyrimidine-2,4-dione
SMILESCC(=O)n1cc(F)c(=O)n(C(C)=O)c1=O
InChIInChI=1S/C8H7FN2O4/c1-4(12)10-3-6(9)7(14)11(5(2)13)8(10)15/h3H,1-2H3
InChIKeyPNPZIWCKOWTFFO-UHFFFAOYSA-N
XLogP-0.53
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-diacetyl-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1,3-diacetyl-5-fluoropyrimidine-2,4-dione (CID 10262657) is 1,3-diacetyl-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1,3-diacetyl-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1,3-diacetyl-5-fluoropyrimidine-2,4-dione is CC(=O)n1cc(F)c(=O)n(C(C)=O)c1=O.
What is the InChIKey of 1,3-diacetyl-5-fluoropyrimidine-2,4-dione?
The InChIKey is PNPZIWCKOWTFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O4/c1-4(12)10-3-6(9)7(14)11(5(2)13)8(10)15/h3H,1-2H3.
What are the key properties of 1,3-diacetyl-5-fluoropyrimidine-2,4-dione?
1,3-diacetyl-5-fluoropyrimidine-2,4-dione has a molecular weight of 214.15 g/mol, XLogP of -0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diacetyl-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 10262657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).