1-amino-5-fluoropyrimidine-2,4-dione

C4H4FN3O2 — CID 13111906

IUPAC1-amino-5-fluoropyrimidine-2,4-dione
SMILESNn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C4H4FN3O2/c5-2-1-8(6)4(10)7-3(2)9/h1H,6H2,(H,7,9,10)
InChIKeyKTOGREPWYGSSKH-UHFFFAOYSA-N
MW145.09 g/mol
LogP-1.61
Rot. Bonds

About 1-amino-5-fluoropyrimidine-2,4-dione

1-amino-5-fluoropyrimidine-2,4-dione (PubChem CID 13111906) has the molecular formula C4H4FN3O2 and a molecular weight of 145.09 g/mol. Its IUPAC name is 1-amino-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-amino-5-fluoropyrimidine-2,4-dione
PubChem CID13111906
Molecular FormulaC4H4FN3O2
Molecular Weight145.09 g/mol
Exact Mass145.03
IUPAC Name1-amino-5-fluoropyrimidine-2,4-dione
SMILESNn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C4H4FN3O2/c5-2-1-8(6)4(10)7-3(2)9/h1H,6H2,(H,7,9,10)
InChIKeyKTOGREPWYGSSKH-UHFFFAOYSA-N
XLogP-1.61
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.09
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-amino-5-fluoropyrimidine-2,4-dione (CID 13111906) is 1-amino-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-amino-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-amino-5-fluoropyrimidine-2,4-dione is Nn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-amino-5-fluoropyrimidine-2,4-dione?
The InChIKey is KTOGREPWYGSSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3O2/c5-2-1-8(6)4(10)7-3(2)9/h1H,6H2,(H,7,9,10).
What are the key properties of 1-amino-5-fluoropyrimidine-2,4-dione?
1-amino-5-fluoropyrimidine-2,4-dione has a molecular weight of 145.09 g/mol, XLogP of -1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 13111906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).